Dear Amber users,
When I ran mm_pbsa.pl in amber8 , for my own molecular files some errors
occur as follow,
amber8/exe/pbsa -O -i pbsa.in -o pbsa_com.1.out -c 1pfy_com.crd.1 -p
parm_com.top not successful
It seems to be something wrong with pbsa. In pbsa_com.1.out:
======== PB Initialization ========
Max PBMD Nonbonded Pairs: 4010779 2117502
PB bomb in pb_aaradi(): ZERO sigma found for non-hydrogen atom
Do you have any idea?
Thanks in advance.
amit
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Received on Thu Aug 18 2005 - 22:53:00 PDT
