Hi, friends:
Can anyone tell me the meaning of STDA and STUB in the nonbonded
parameters section of parm91.dat?
I want to use united atom model of Carbon, there are two choices of
nonbonded parameters in parm91.dat: STDA and STUB. I don't know which
one is suitable for hydrocarbonate calculations.
Thank you very much!
Best regards
Zhongyuan Lu
Received on Thu Oct 28 1999 - 10:20:59 PDT
