Hi,
I am trying to calculate MMPBSA with the IVCAP = 1; CUTCAP = 15.0
I am getting the following message in pbsa_com.1.out:
| Flags:
cap water should only be run with eneopt=1 and frcopt=0
How do I set these parameters in the input?
Thanks for your help,
Rami Osman
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Received on Mon Mar 14 2011 - 20:30:04 PDT
