[gmx-users] Modify disre_fc during md

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 2 00:59:11 CET 2009


Andrei Istrate wrote:
> Hello all,
> 
> I would like to modify the force constant of some distance constraints during my MD.
> I know this is not implemented in GROMACS and I'd like to modify the code.
> I have read that it could be done in md.c, but I didn't find the variable dr_fc in this file. 

Why assume that's the variable name?

> Tell me please what variable I should change and where can I find it.

See http://lists.gromacs.org/pipermail/gmx-users/2008-June/034651.html 
for some ideas.

Mark



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