[gmx-users] How to print out vdw-14 energy terms for each pair in minimization?
feenstra at chem.vu.nl
Tue May 20 13:29:00 CEST 2003
David van der Spoel wrote:
> That would be excellent for debugging rotten starting structures too.
Yes - although in that case you may want to have interactions added per atom pair.
> Call it g_strain
or it may be an option to gmxdump - it will need to be kernel anyawy (?).
I'd like to use as much of the standard force routines as possible...
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