Hi GMX user:
A model for Poly(vinyl methyl ether) was built with OPLS force field ( all H ).
When the model was run alone (a single chain) in vacuum, anything goes ok.
But with 45 chains box, the system will be collapse with a little bond
elongates abnormal whatever in NVT or NPT.
The relax time of pressure and temperature were adjust but no helpful.
How can I found some possible reason and then fix it ? Any advise will be
appreciated.
*************************************************
Ji Qing
Institute of Chemistry, Chinese Academy of Sciences
Tel: 0086-10-62562894 ，82618423
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