AMBER Archive (1999)

Subject: About the nonbonded parameters

From: Lu (zhonglu_at_uni-wuppertal.de)
Date: Thu Oct 28 1999 - 12:20:59 CDT


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