Re: [AMBER] dihedral term for furan and thiophene molecules

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 22 Apr 2013 11:04:18 -0400

On Mon, Apr 22, 2013, Chang Woon Jang wrote:
>
> I am trying to find the general amber force field (gaff) dihedral
> parameters for furan and thiophene molecules.Â
>
> In the gaff.dat, there are no "cc-os-cc-cd" and "cc-ss-cc-cd" type
> parameters in the dihedral term.

Did you run parmchk?.....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 22 2013 - 08:30:04 PDT