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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Received on Wed Jun 14 2006 - 06:07:11 PDT
