I need critical points as temperature,density and pressure of methanol with opls-aa force field.
These things were discussed by developers of the TraPPE force field. But I'm not sure that they are were given just for methanol.
Not useful!
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When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
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