[gmx-users] top2psf with Amber99SB-ILDN

[francesco oteri]

yes,actually it works fine as long as you have one chain in you .top
file . if u have more subunits, u are supposed to merge the chains
using the appropriate value for -chainsep option in pdb2gmx

2012/11/22, Steven Neumann <s.neumann08 at gmail.com>:
> There was an error with index < 1 which this script assigned to bond
> part. The script provided here:
>
> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/top2psf/top2psf.pl
>
> works much better.
>
> Steven
>
> On Thu, Nov 22, 2012 at 12:50 PM, francesco oteri
> <francesco.oteri at gmail.com> wrote:
>> hi,it would be nice knowing the errors.
>>
>> Francesco
>>
>>
>> 2012/11/22, Steven Neumann <s.neumann08 at gmail.com>:
>>> Dear Gmx Users,
>>>
>>> Is it possible to convert topology produced by Gmx and convert it ont
>>> the psf file? I used Justin script but when I load pdb and psf in VMD
>>> then there are some errors.
>>> Would you help?
>>>
>>> Steven
>>> --
>>> gmx-users mailing list    gmx-users at gromacs.org
>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>> * Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>> * Please don't post (un)subscribe requests to the list. Use the
>>> www interface or send it to gmx-users-request at gromacs.org.
>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>>
>>
>> --
>> Cordiali saluti, Dr.Oteri Francesco
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> * Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>


-- 
Cordiali saluti, Dr.Oteri Francesco