AMBER Archive (2006)Subject: AMBER: How to calculate the mmpbsa for explicit MD ?
From: jitrayut jitonnom (jitrayut.018_at_gmail.com)
Date: Mon Jun 12 2006  11:41:52 CDT
Dear amber users
I am new for mmpbsa and I look at the mmpbsa tutorial which is an implicit
md. For explicit MD, I found the error say that "NATOM mismatch between
topology and coordinate" in sander output. I think that maybe somethings
wrong in step of generating topology of COM,LIG and REC. So, I want any
suggestions about generating topology file for explicit MD.
Thanks in advance for any suggestions
Best regards
Jitrayut

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