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.
Miguel
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Feb 02 2004 - 17:53:00 PST
