[gmx-users] 4. Re: access code for qmmm

Justin A. Lemkul jalemkul at vt.edu
Sat Nov 21 15:25:51 CET 2009



Farzad Molani wrote:
> Hi Dr.Greonhof,
> Thanks for your reply. I am using gromacs 3.3 and gromacs 4.0. I did'nt 
> undrestand about your advice. please help me clearly.

I don't know what can be more clear than exact commands.  You need to access the 
newest version of the development code.  See here:

http://www.gromacs.org/Developer_Zone/Git

-Justin

> Thanks in advance.
> 
> Farzad Molani,
> Ph.D Student,
> Department of Theoretical Chemistry and Biochemistry,
> K. N. Toosi University of Technology,
> Tehran, Iran.
> Tel.: 009821 2306 4280
> Fax: 009821 2285 3650
> Web: http://www.kntu.ac.ir
> 
> --- On *Sat, 11/21/09, Gerrit Groenhof /<ggroenh at gwdg.de>/* wrote:
> 
> 
>     From: Gerrit Groenhof <ggroenh at gwdg.de>
>     Subject: [gmx-users] 4. Re: access code for qmmm (Mark Abraham)
>     To: gmx-users at gromacs.org
>     Date: Saturday, November 21, 2009, 4:52 PM
> 
>     You need a newer version to run ORCA:
> 
> 
>         10    16:42    git clone git://git.gromacs.org/gromacs
>         11    16:44    cd gromacs/
>         12    16:44    git branch --track qmmm origin/qmmm
>         13    16:44    git checkout qmmm
>         14    16:44    git pull
> 
> 
>     Gerrit
> 
>     On 21 Nov 2009, at 14:16, gmx-users-request at gromacs.org
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>      >   1. Re: amber force field in gromacs (Alan)
>      >   2. Re: amber force field in gromacs (Justin A. Lemkul)
>      >   3. Re: access code for qmmm (Farzad Molani)
>      >   4. Re: access code for qmmm (Mark Abraham)
>      >
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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