[gmx-users] Re: Problem calculating RMSD with gromos

Melchor S. msmqbm at cid.csic.es
Tue Jul 2 16:51:41 CEST 2013

Hi Tsjerk,

I read the sae that you say about the PME and the twin cutoff,  but as I
have seen that a lot of studies in that people use Gromos with PME and a
Vander Vaals cutoff so small as mine, I didn't change it, for mantain the
same settongs than in OPLS simulations.

About the structures are very similar, in principle, as I can see in VMD and
so on, but for sure I will try your suggestions.


Melchor S.

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