[gmx-users] NVT Equilibration error

[Agnivo Gosai]

Hello,

The PDB code of my structure is 1HAO.

http://www.rcsb.org/pdb/explore/remediatedSequence.do;jsessionid=49DB9DA4F66D6A5F19554FBC6741967D?params.chainEntityStrategyStr=all&structureId=1HAO

Thrombin has got 2 chains and the atoms mentioned in the warning are in the
heavy chain. Residues 229 and 230.


Thanks & Regards
Agnivo Gosai
Grad Student, Iowa State University.