Hello Debashish,
Thank you for the suggestions.
Could you tell us in more detail how (in which file) postion restraints
on them in x, y, z should be written by putting force constant of [1000
1000 1000
Could you please advise the links where I can read about it?
Message: 3
Date: Thu, 7 May 2020 14:14:41 +0200
From: Debashish Banerjee <deb.aerosp...@gmail.com>
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Need help creating md.mdp for silica(quartz)?
Message-ID:
<caa3x+4heldknflbdn78hgxsm-gs08s6vi-nt3hmj-znbury...@mail.gmail.com>
Content-Type: text/plain; charset="UTF-8"
Hello Ekatherina, I did not reach a point in my simulations where I
have
used freeze command, but I think for your case, can't you put a
position
constraint on your quartz layer. In that case, you just have to create
an
index file having quartz in the group and then you can put postion
restraints on them in x,y,z by putting force constant of [1000 1000
1000]
so that the layer doesn't move.
Regards,
Debashish
--
Yours sincerely,
Ekatherina O.
o...@isc-ras.ru
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