[gmx-users] (no subject)

[pqchen at eyou.com]

Dear gmx-users:
  In Tinker pakages the improper torsion parameters are different from the
parameters in gromacs pakages(opls-aa force field)?????
  For example:
  In Thinker pakages(opls-aa):
  improper_Z_CA_X_Y       180.0      2.200(kcal/mol)   2
  But in gromacs:
  #define improper_Z_CA_X_Y       180.0      4.60548(KJ/mol)   2

  which is right?





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