VMD-L Mailing List

From: sarah k (dailycolors_at_gmail.com)
Date: Sun Oct 25 2009 - 02:24:21 CDT

Hello. I've entered a complex (a protein and an organic compound) file to
NAMD. Unfortunately, the *.psf file can't be created. I face an error
showing that the organic compound is unparameterized. I didn't succeed to
solve the problem by paratool. I browsed the link:
www.pharmacy.umaryland.edu/faculty/amackere/force_fields.htm
I tried adding the *.inp files there to psf subprogram but it was useless. I
can't omit the organic compound. Do you have any solution? Thanks.
Feel lucky forever,
                             Fatemeh Keshavarz