[gmx-users] OPLS added parameters

Andres Ortega og_andres15 at hotmail.com
Sat Jan 25 17:43:35 CET 2014


Hi, Dear Gromacs Users

I have a little doubt, is about opls parameters

here http://virtualchemistry.org/gmld.php

there are some opls topologies, and when i checked it there is a oplsff.itp,
with some interaction added 
and check Gromacs 4.6.5 and there are not included, it is necessary to add
this interaction ¿?, 

Thanks in advance

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