[gmx-users] how to remove an energy contribution in gromacs?
Mark.Abraham at anu.edu.au
Mon Aug 6 16:46:45 CEST 2007
Jones de Andrade wrote:
> @Berk: Thanks a lot for the clarification. But still could not
> understand why there is any need for using g_analyze. Could you ple
mdrun and g_energy interact in a tricky fashion described in Appendix C
to make calculating averages and variances quick, but there are
limitations imposed by the method, see C.2. Using g_analyze sidesteps this.
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