[gmx-users] how to remove an energy contribution in gromacs?

[Mark Abraham]

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.

Mark