amber-developers: leap parm and frcmod

From: Scott Brozell <>
Date: Thu, 29 Mar 2007 09:00:02 -0800


According to
"Any or all of the keywords may be missing"
Note that the leap manual does not say much about frcmod files.

However, parm94.dat defines the mass of MG and adding merely a NONBOND
section to a frcmod file does not eliminate this leap complaint:

For atom: .R<MG2 47>.A<MG 1> Could not find type: MG
Parameter file was not saved.

To eliminate the undefined type one must either also add a MASS entry
for MG into the frcmod or one can add the vdw parameters into parm94.dat.

Is it the documentation or the behavior that is incorrect ?

Received on Sun Apr 01 2007 - 06:07:28 PDT
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