[gmx-users] Error : Atomtype not found
protim chakraborti
protimster at gmail.com
Thu Jan 8 16:14:40 CET 2015
Respected Dr. Lemkul
Thanks for the suggestion. I have checked the ffnonbonded.itp and found
that copper is entered out there in the following form and format
; Ions and noble gases (useful for tutorials)
Cu2+ 29 63.54600 2.00 A 2.08470e-01 4.76976e+00
Ar 18 39.94800 0.00 A 3.41000e-01 2.74580e-02
would this be not be suffice or i need to add Cu separately? or may be I
have to run starting from pdb2gmx itself!
Regards
--
Pratim Chakraborti
+919831004707
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