Hi, amber users
I am trying to do a mm-pbsa binding calculation based on a number of
snapshots. It is working fine for the 1st snapshot. But it stops at
the 2nd. No error message at all. I am using amber 8 on sgi origin300.
And then I try it on P4 machine after recompiling amber 8. It is working fine.
Does anyone know where the problem is and how to fix it?
=>> Calculating energy / entropy contributions
Calc contrib for ./ampreA_com.crd.1
Calc MM/GB/SAS
Generate PDB
Center PDB
Generate PQR
Calc MS
Calc contrib for ./ampreA_com.crd.2
Calc MM/GB/SAS
--
Dawei Zhang
Department of Chemistry
New York University
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Received on Thu Oct 14 2004 - 15:53:01 PDT
