AMBER Archive (2009)

Subject: [AMBER] AMBER question: bad atom type: MN

From: Edward M (
Date: Mon Jun 22 2009 - 22:05:51 CDT


I am trying to do a free energy decomposition analysis
and I encountered a problem with the parameters for Manganese
absent in the file mdread.f

I am using amber9 and I was wondering if anybody can point me to the values
of those parameters, maybe you have them on amber10?.

Thanks in advance

Eduardo Mendez
=>> Calculating energy / entropy contributions
    Calc contrib for ../SNAPSHOTSforATP/doingATP_com.crd.1
        Calc MM/GB/SAS
 bad atom type: MN
        /home/mendez/AMBER9/amber9-ifort/exe/sander -O -i -o
sander_com.1.out -c ../SNAPSHOTSforATP/doingATP_c
om.crd.1 -p ../ProPCK.ATP.Mg.Mn.OAA.prmtop not successful
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