AMBER Archive (2004)

Subject: AMBER: LEaP- Error reading frcmod parameters.

From: Miguel de Federico (
Date: Mon Feb 02 2004 - 12:03:00 CST

 I want to perform a FEP calculation and I'm using several dummy atoms. After
adding the torsion dummy parameters asked by leap, I added also the improper
torsion parameters (also asked by leap). However, when I read the new dummy
parameters, leap gives the following kind warnings:

Reading force field mod type file (frcmod)
 WARNING: expected Improper Torsion PK>0 (0.000000)
 WARNING: expected Improper Torsion PHASE=180 (0.000000)
 Here is the Improper Torsion line in question:
d2 c3 os c3 0.0 0. 2.

 This did not prevent me saving topology and coordinate files. Is this kind of
warnings normal?

 Thank you for any help.


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