[gmx-users] potential calculation
x.periole at rug.nl
Wed Apr 21 12:04:11 CEST 2010
From a trajectory energy file (file extension edr) you can extract
component of the potential energy using the program g_energy. Have
a look at the manual and instructions given by g_energy -h.
On Apr 21, 2010, at 11:01 AM, Peicho Petkov wrote:
> Dear all,
> is there a way to calculate patencial energy at a user defined point
> in a simulation box.
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