[gmx-users] gromacs in cgywin

[Subashini .K]

Hi,



Had included a few more lines in .mdp file and now it is working well.


Thanks,

Subashini.K

________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of liming_52 <liming_52 at 163.com>
Sent: Wednesday, January 11, 2017 1:59 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] gromacs in cgywin

Delete the ";", and it maybe bring some surprise. For example, run "grompp -f em.mdp -c test_GMX.gro -p test_GMX.top -o em.tpr -v" or "mdrun -v -deffnm em".





--

With my best wishes,
Ming Li, PhD
Chinese Academy of Agricultural Sciences, Beijing, China



At 2017-01-11 16:24:16, "Subashini .K" <subashinik at hotmail.com> wrote:
>Hi,
>
>
>I have installed gromacs in cgywin.
>
>I want to run these commands
>
>
>#em.mdp
>; to test
>; grompp -f em.mdp -c test_GMX.gro -p test_GMX.top -o em.tpr -v
>; mdrun -v -deffnm em
>
>
>I had sourced gmrx before typing these commands.
>
>source /usr/local/gromacs/bin/GMXRC
>
>
>But, it says,   -bash: syntax error near unexpected token `;'
>
>
>How to rectify it?
>
>
>Thanks,
>
>Subashini.K
>
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