AMBER Archive (2008)

Subject: AMBER: vertex atom mismatch

From: ecustipp (ecustipp_at_163.com)
Date: Fri Dec 26 2008 - 04:09:45 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 pbsa_lig.in -o pbsa_lig.66.out -c ../snapmd3/snapshot_lig.crd.66 -p ../pbsaLeap/23.top not successful

Why?
Thanks very much!

Yours
Alice Wang

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