Re: [gmx-users] Distance restraint energy terms

2010-02-07 Thread nikhil damle
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

Re: [gmx-users] Distance restraint energy terms

2010-02-07 Thread Mark Abraham
*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

Re: [gmx-users] Distance restraint energy terms

2010-02-06 Thread Justin A. Lemkul
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

[gmx-users] Distance restraint energy terms

2010-02-05 Thread nikhil damle
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