AMBER Archive (2005)

Subject: AMBER: parameters for fluorine atom

From: Morena Spreafico (morena.spreafico_at_stud.unibas.ch)
Date: Thu Dec 15 2005 - 06:33:52 CST

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_at_stud.unibas.ch

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