[gmx-users] Problems with OPLS topology files
Mark.Abraham at anu.edu.au
Thu Mar 6 00:11:31 CET 2008
Goran Krilov wrote:
> I am trying to build a topology file for a polymer, and I am receiving
> the error:
> Fatal error:
> [ file "pvp.top", line 2607 ]:
> Proper Dih. multiplicity can not be perturbed
> However, the line in question actually contains the first if improper
> angles that are defined as propers under the OPLS convention.
> Any ideas as to what may be wrong are greatly appreciated.
You've got the formatting of the file wrong. Please include this line
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