Dear Amber community,
I would like to add parameters for F atom, by hand editing parameters
in the file code mdread.f, in order to perform MM-PBSA analysis.
Unfortunately I don't find the definition of parameters:
x(L165-1+i)
x(L170-1+i)
x(L175-1+i)
x(L180-1+i)
x(L185-1+i)
what do they represent? where to find this information?
does anyone already add parameters for fluorine atom?
I couldn't find this in the past messages in the mailing list.
Thank you
Morena
-------------------------------------------------
Morena Spreafico
Institute of Molecular Pharmacy
Pharmacenter
University of Basel
Klingelbergstrasse 50
CH-4056 Basel
Tel: +41 61 267 15 03
morena.spreafico.stud.unibas.ch
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Dec 15 2005 - 12:53:00 PST
