[gmx-users] how to show structure results in Martini coarse-grained simulation?

Justin A. Lemkul jalemkul at vt.edu
Thu May 6 16:16:34 CEST 2010



xi zhao wrote:
> 
> In fact, the structure show still unchange , I fell confused!
> 

What do you mean "unchanged"?  Did you load your coarse-grained .pdb file, then 
the .psf file as data for it?  The bonds should show up after you load the .psf 
file.  There won't be any sort of animation, if that's what you're expecting.  A 
.psf file is just topology information, not trajectory information, which has to 
be loaded separately.

-Justin

> 4 
> <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
> 
> --- *10年5月6日,周四, Justin A. Lemkul /<jalemkul at vt.edu>/* 写道:
> 
> 
>     发件人: Justin A. Lemkul <jalemkul at vt.edu>
>     主题: Re: [gmx-users] how to show structure results in Martini
>     coarse-grained simulation?
>     收件人: "Gromacs Users' List" <gmx-users at gromacs.org>
>     日期: 2010年5月6日,周四,下午8:13
> 
> 
> 
>     xi zhao wrote:
>      > thank you for your suggestion!
>      > using 3ehz.itp as in input file, the script produced psf, but how
>     to show structure corresponding for the particular time. I do not
>     know using of NAMD or charmm file format ? 
> 
>     Load a .pdb file into VMD, then load the .psf file as data into it.
> 
>     -Justin
> 
>      >
>      >
>      > 4
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >
>      > --- *10年5月6日,周四, Justin A. Lemkul /<jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>/* 写道:
>      >
>      >
>      >     发件人: Justin A. Lemkul <jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>
>      >     主题: Re: [gmx-users] how to show structure results in Martini
>      >     coarse-grained simulation?
>      >     收件人: "Gromacs Users' List" <gmx-users at gromacs.org
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>>
>      >     日期: 2010年5月6日,周四,下午7:24
>      >
>      >
>      >
>      >     xi zhao wrote:
>      >      >
>      >      > in fact, using Maritni coarse-grained force field in
>     gromacs,     corresponding top file is system top file,and gro file
>     is only     coordinates file for protein. I do not know what the
>     file format for
>      >     top2psf.pl in coarse-graind simulation!
>      >
>      >     Within your system topology, you have to have #included the
>      >     coarse-grain .itp file for your protein somewhere.  I presume
>     that's
>      >     what "3ehz.itp" is.  That is the input that top2psf.pl
>     expects.  It
>      >     needs to know the bonds that are in your CG structure,
>     information
>      >     contained in your protein's topology.
>      >
>      >     -Justin
>      >
>      >      > thank you!
>      >      >
>      >      > 4
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >
>      >      > --- *10年5月6日,周四, Justin A. Lemkul /<jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>/*
>     写道:
>      >      >
>      >      >
>      >      >     发件人: Justin A. Lemkul <jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>
>      >      >     主题: Re: [gmx-users] how to show structure results in
>     Martini
>      >      >     coarse-grained simulation?
>      >      >     收件人: "Gromacs Users' List" <gmx-users at gromacs.org
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>>
>      >      >     日期: 2010年5月6日,周四,上午10:59
>      >      >
>      >      >
>      >      >
>      >      >     xi zhao wrote:
>      >      >      > produce input file , in coarse grained , no standard
>      >     protein top file
>      >      >      >
>      >      >
>      >      >     I still don't understand what your question is.  Are
>     you still
>      >      >     having problems with top2psf?  If so, please explain
>     what the
>      >      >     difficulty is or what exactly you're trying to do.
>      >      >
>      >      >     -Justin
>      >      >
>      >      >      >
>      >      >      > 4
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>
>      >      >      >
>      >      >      > --- *10年5月6日,周四, Justin A. Lemkul
>     /<jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>/*
>      >     写道:
>      >      >      >
>      >      >      >
>      >      >      >     发件人: Justin A. Lemkul <jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>
>      >      >      >     主题: Re: [gmx-users] how to show structure
>     results in
>      >     Martini
>      >      >      >     coarse-grained simulation?
>      >      >      >     收件人: "Gromacs Users' List"
>     <gmx-users at gromacs.org
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>>
>      >      >      >     日期: 2010年5月6日,周四,上午10:37
>      >      >      >
>      >      >      >
>      >      >      >
>      >      >      >     xi zhao wrote:
>      >      >      >      > in fact, how to deal with format problem in
>      >     coarse-grained ?
>      >      >      >
>      >      >      >     What do you mean?
>      >      >      >
>      >      >      >     -Justin
>      >      >      >
>      >      >      >      > thank you!
>      >      >      >      >
>      >      >      >      >
>      >      >      >      > 4
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>>
>      >      >      >      >
>      >      >      >      > --- *10年5月6日,周四, Justin A. Lemkul
>      >     /<jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >       
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>/*
>      >      >     写道:
>      >      >      >      >
>      >      >      >      >
>      >      >      >      >     发件人: Justin A. Lemkul
>     <jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>
>      >      >      >      >     主题: Re: [gmx-users] how to show structure
>      >     results in
>      >      >     Martini
>      >      >      >      >     coarse-grained simulation?
>      >      >      >      >     收件人: "Gromacs Users' List"
>      >     <gmx-users at gromacs.org
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >      >       
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>>
>      >      >      >      >     日期: 2010年5月6日,周四,上午9:40
>      >      >      >      >
>      >      >      >      >
>      >      >      >      >
>      >      >      >      >     xi zhao wrote:
>      >      >      >      >      >
>      >      >      >      >      > Dear Sir :
>      >      >      >      >      > The script require what format for
>     top file?
>      >     my top
>      >      >     file
>      >      >      >     is here:
>      >      >      >      >      >
>      >      >      >      >
>      >      >      >      >     The input is the actual protein
>     topology, not
>      >     the system
>      >      >      >     topology.
>      >      >      >      >
>      >      >      >      >     -Justin
>      >      >      >      >
>      >      >      >      >      > ;
>      >      >      >      >      > ; Example topology file for MARTINI 2.0
>      >      >      >      >      > ;
>      >      >      >      >      > ; First include the file containing
>     all particle
>      >      >     definitions,
>      >      >      >      >      > ; the interaction matrix, plus the
>     topology
>      >     for water.
>      >      >      >      >      > #include "martini_v2.1.itp"
>      >      >      >      >      > #include "martini_v2.0_ions.itp"
>      >      >      >      >      > #include "martini_v2.0_lipids.itp"
>      >      >      >      >      > #include "3ehz.itp"
>      >      >      >      >      > ; Include Position restraint file
>      >      >      >      >      > #ifdef POSRES
>      >      >      >      >      > #include "s.itp"
>      >      >      >      >      > #endif
>      >      >      >      >      > [ system ]
>      >      >      >      >      > CGprotein  ion channel
>      >      >      >      >      > [ molecules ]
>      >      >      >      >      > ; name  number
>      >      >      >      >      > Protein     1
>      >      >      >      >      > POPC       502
>      >      >      >      >      > W         18934
>      >      >      >      >      > but run top2psf.pl
>      >      >      >      >      > "Cannot open atoms for reading: No
>     such file or
>      >      >     directory"
>      >      >      >      >      > please help me!
>      >      >      >      >      > 4
>      >      >      >      >             
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>
>      >      >      >      >             
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>>>
>      >      >      >      >      >
>      >      >      >      >      > --- *10年5月3日,周一, Justin A. Lemkul
>      >      >     /<jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >      >             
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>/*
>      >      >      >     写道:
>      >      >      >      >      >
>      >      >      >      >      >
>      >      >      >      >      >     发件人: Justin A. Lemkul
>      >     <jalemkul at vt.edu
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>
>      >      >      >      >       
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=jalemkul@vt.edu>>
>      >      >      >      >      >     主题: Re: [gmx-users] how to show
>     structure
>      >      >     results in
>      >      >      >     Martini
>      >      >      >      >      >     coarse-grained simulation?
>      >      >      >      >      >     收件人: "Discussion list for
>     GROMACS users"
>      >      >      >      >     <gmx-users at gromacs.org
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      > 
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >       
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >      >       
>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>
>      >      >      >      >             
>     <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org>>
>      >      >      >      >      >     日期: 2010年5月3日,周一,上午8:08
>      >      >      >      >      >
>      >      >      >      >      >
>      >      >      >      >      >
>      >      >      >      >      >     xi zhao wrote:
>      >      >      >      >      >      > Dear user:
>      >      >      >      >      >      > how to show struture or
>     conformation
>      >     in Martini
>      >      >      >     coarse-grained
>      >      >      >      >      >     simulation, using VMD or other?
>      >      >      >      >      >      > Please give me some suggestion!
>      >      >      >      >      >      > thank you!
>      >      >      >      >      >
>      >      >      >      >      >     What kind of rendering do you want to
>      >     do?     There are
>      >      >      >     some scripts
>      >      >      >      >      >     linked below to render bonds in a CG
>      >     structure.
>      >      >      >      >      >
>      >      >      >      >      >             
>        http://www.gromacs.org/Developer_Zone/Programming_Guide/VMD#VMD_and_coarse-grained_simulations
>      >      >      >      >      >
>      >      >      >      >      >     -Justin
>      >      >      >      >      >
>      >      >      >      >      >      >
>      >      >      >      >      >      >
>      >      >      >      >      >      > 4
>      >      >      >      >      >             
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>
>      >      >      >      >             
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>>
>      >      >      >      >      >             
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>
>      >      >      >      >             
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>
>      >      >      >       
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>
>      >      >       
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
>      > 
>        <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844
>     <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>>>>>>>
>      >      >      >      >      >      >
>      >      >      >      >      >      >
>      >      >      >      >      >      >
>      >      >      >      >      >     --
>     ========================================
>      >      >      >      >      >
>      >      >      >      >      >     Justin A. Lemkul
>      >      >      >      >      >     Ph.D. Candidate
>      >      >      >      >      >     ICTAS Doctoral Scholar
>      >      >      >      >      >     MILES-IGERT Trainee
>      >      >      >      >      >     Department of Biochemistry
>      >      >      >      >      >     Virginia Tech
>      >      >      >      >      >     Blacksburg, VA
>      >      >      >      >      >     jalemkul[at]vt.edu | (540) 231-9080
>      >      >      >      >      >       
>        http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>      >      >      >      >      >
>      >      >      >      >      > 
>        ========================================
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>        <http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users-request@gromacs.org>
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>      >      >      >      >     -- ========================================
>      >      >      >      >
>      >      >      >      >     Justin A. Lemkul
>      >      >      >      >     Ph.D. Candidate
>      >      >      >      >     ICTAS Doctoral Scholar
>      >      >      >      >     MILES-IGERT Trainee
>      >      >      >      >     Department of Biochemistry
>      >      >      >      >     Virginia Tech
>      >      >      >      >     Blacksburg, VA
>      >      >      >      >     jalemkul[at]vt.edu | (540) 231-9080
>      >      >      >      >       
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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>      >      >      >      >
>      >      >      >     -- ========================================
>      >      >      >
>      >      >      >     Justin A. Lemkul
>      >      >      >     Ph.D. Candidate
>      >      >      >     ICTAS Doctoral Scholar
>      >      >      >     MILES-IGERT Trainee
>      >      >      >     Department of Biochemistry
>      >      >      >     Virginia Tech
>      >      >      >     Blacksburg, VA
>      >      >      >     jalemkul[at]vt.edu | (540) 231-9080
>      >      >      > 
>        http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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>      >      >     -- ========================================
>      >      >
>      >      >     Justin A. Lemkul
>      >      >     Ph.D. Candidate
>      >      >     ICTAS Doctoral Scholar
>      >      >     MILES-IGERT Trainee
>      >      >     Department of Biochemistry
>      >      >     Virginia Tech
>      >      >     Blacksburg, VA
>      >      >     jalemkul[at]vt.edu | (540) 231-9080
>      >      >     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>      >      >
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>      >     -- ========================================
>      >
>      >     Justin A. Lemkul
>      >     Ph.D. Candidate
>      >     ICTAS Doctoral Scholar
>      >     MILES-IGERT Trainee
>      >     Department of Biochemistry
>      >     Virginia Tech
>      >     Blacksburg, VA
>      >     jalemkul[at]vt.edu | (540) 231-9080
>      >     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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> 
>     -- ========================================
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu | (540) 231-9080
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
>     ========================================
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> 
>  

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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