Dear all,
I got a message as following when I want to save the top and crd file using
polarizable force field.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
total 197 improper torsions applied
Building H-Bond parameters.
Conflict: polarizable prmtop can not have IPOL <= 0.
Please change IPOL in frcmod/parmxx.dat or set default IPOL.
The command used as following:
tleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff02pol.r1
loadamberparams frcmod.pol3
WAT=PL3
m=loadpdb fos_jun.pdb
savepdb m fos_jun_mf.pdb
saveamberparmpol m fos_jun.top fos_jun.crd
Any suggestion for what happened?
Thanks advance!
David
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Received on Sun Jun 02 2013 - 10:00:05 PDT
