[gmx-users] help about opls-aa for thiophene

[Thomas Schlesier]

Have a look there:
http://virtualchemistry.org/molecules/110-02-1/index.php

"virtualchemistry.org" is a really nice site (from David van der Spoel, 
and others i think), which has many paramters for solvents for the GAFF 
and OPLS force field. And also Physical properties for these.

Greetings
Thomas

> C4H4S. Thiophene is common compound . it seems oplss-aa does not have the
> parameters for it (such
> as dihedral angle).
>
> Any expert of opls-aa forcefield can help with ff parameters for thiophene?
> Thanks very much!
>
> Steven