Undefined angle parameter and tortion terms
Hi Amber expert.
I'm currently trying to build glycolipid (glucose with alkyl chain) topology using GLYCAM06 and Lipid17 force field.
When I ran saveamberparm to save the parameter in xleap, I got this error :
Checking Unit.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Error: Could not find angle parameter: Os - cA - hA
Error: Could not find angle parameter: Os - cA - hA
Error: Could not find angle parameter: Os - cA - cA
Building proper torsion parameters.
Error: ** No torsion terms for Os-cA-cA-hA
Error: ** No torsion terms for Os-cA-cA-hA
Error: ** No torsion terms for Os-cA-cA-cA
Error: ** No torsion terms for Cg-Os-cA-hA
Error: ** No torsion terms for Cg-Os-cA-hA
Error: ** No torsion terms for Cg-Os-cA-cA
Error: ** No torsion terms for Os-Cg-Os-cA
Based on my humble understanding, this error seems to be revolving around the Oxygen in the glycosidic linkage which I put Os as the atomtype taken from GLYCAM06.
It looks like the the information for angles and tortion terms involving atomtypes from two different force field seem to cause this error.
My question is where can I get these information? Both GLYCAM06 and Lipid17 seem not to have these information.
Thank you in advance.
Rae,
University of Malaya,
Malaysia
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Received on Tue Jul 21 2020 - 21:30:02 PDT
