[gmx-users] Problems with OPLS topology files

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 6 00:11:31 CET 2008

Goran Krilov wrote:
> Hi,
> 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 
> -8.368000!=0.000000
> However, the line in question actually contains the first if improper 
> dihedral
> 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 
and several lines around it in your post if you want useful feedback.


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