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
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