[gmx-users] GROMACS IN CGYWIN
subashinik at hotmail.com
Wed Jan 11 07:20:18 CET 2017
In cgywin, I typed this command
After that, cd /way-to-the-required-directory/ was given
is given, it says,
-bash: syntax error near unexpected token `;'
Gromacs was installed following the instructions in this website
How to rectify it? Please help.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Mark Abraham <mark.j.abraham at gmail.com>
Sent: Wednesday, January 11, 2017 12:30 AM
To: gmx-users at gromacs.org; gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] ENERGY MINIMIZATION
In a cygwin terminal, having source'd GMXRC (see the install guide), just
like you need to do under Linux.
On Tue, Jan 10, 2017 at 7:29 PM Subashini .K <subashinik at hotmail.com> wrote:
> Hi Gromacs users,
> I have installed gromacs in windows 7, 64 bit using cgywin.
> I want to use the em.mdp file to grompp and generate a .tpr file.
> In which terminal should the following commands be executed?
> ; to test
> ; grompp -f em.mdp -c test_GMX.gro -p test_GMX.top -o em.tpr -v
> ; mdrun -v -deffnm em
> Can someone tell me?
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