Subject: Re: [gmx-users] Distance restraint energy terms
nikhil damle wrote:
Hi,
I have applied distance restraints on my system during MD simulation through
following options:
disre = simple and disre_fc = 2000 in .mdp file.
Now i wish to see the energy term corresponding to these restraints
*From:* nikhil damle pdnik...@yahoo.co.in
*To:* jalem...@vt.edu; Discussion list for GROMACS users
gmx-users@gromacs.org
*Sent:* Mon, 8 February, 2010 10:14:10 AM
*Subject:* Re: [gmx-users] Distance restraint energy terms
I have already included the [distance_restraints
nikhil damle wrote:
Hi,
I have applied distance restraints on my system during MD simulation
through following options:
disre = simple and disre_fc = 2000 in .mdp file.
Now i wish to see the energy term corresponding to these restraints in
principle to be written in .edr file. But g_energy
Hi,
I have applied distance restraints on my system during MD simulation through
following options:
disre = simple and disre_fc = 2000 in .mdp file.
Now i wish to see the energy term corresponding to these restraints in
principle to be written in .edr file. But g_energy programme does not list
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