[AMBER] Calculation with CUTCAP

From: Roman Osman <roman.osman.mssm.edu>
Date: Mon, 14 Mar 2011 23:20:43 -0400

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
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