[gmx-developers] Fwd: Force Definition f
Elena della Valle
elena.dv46 at yahoo.it
Fri Dec 2 17:00:28 CET 2016
-------- Messaggio Inoltrato --------
Oggetto: Force Definition f
Data: Wed, 30 Nov 2016 10:40:19 +0000 (UTC)
Mittente: Elena Della valle <elena.dv46 at yahoo.it>
Rispondi-a: Elena Della valle <elena.dv46 at yahoo.it>
A: gromacs.org_gmx-developers at maillist.sys.kth.se
<gromacs.org_gmx-developers at maillist.sys.kth.se>,
gromacs.org_gmx-users at maillist.sys.kth.se
<gromacs.org_gmx-users at maillist.sys.kth.se>
Hi all,
I have a question regarding the definition of the therm force f in the
gromacs code. More in details i'm working modifying the upgrade of the
positions and velocities in the Verlet alghortim. In these equations a
therm regarding the forse i used "f[n]" this f means the
"-partialderivateV/dr". In whice file in the gromacs code there is the
definition of the force, to understand how to take it into account.
Thanks in advance
Best Regards
Elena della Valle
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