AMBER: vertex atom mismatch

From: ecustipp <>
Date: Fri, 26 Dec 2008 18:09:45 +0800 (CST)

Dear Amber,
During the mmpbsa analysis, mmpbsa cal. for the 1ns, 2ns MD runs is ok. But for the 3ns MD runs, the err is :

vertex atom mismatch
       atom: 561
vertex atom: 549
        /home/prog/amber10/exe/sander -O -i -o pbsa_lig.66.out -c ../snapmd3/snapshot_lig.crd.66 -p ../pbsaLeap/ not successful

Thanks very much!

Alice Wang

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Sun Dec 28 2008 - 01:07:29 PST
Custom Search