AMBER Archive (2009)
Subject: Re: [AMBER] MM_PBSA: abnormal VDW interaction energy
Date: Tue Oct 06 2009 - 03:09:27 CDT
check the prmtop file for your receptor. One typical thing that may cause
this type of result is forgetting to form a disulfide bond in one of the
prmtops. If that doesnt solve it, its a good idea to run the individual
MMPBSA steps by hand to track down the error further.
Dr. Thomas Steinbrecher
610 Taylor Rd.
Piscataway, NJ 08854
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