specific site-ion LJ parameters and CHARMM general force field

From: 林星雨 (linxingyu1986_at_gmail.com)
Date: Thu Aug 19 2010 - 05:53:55 CDT

Dear all,

I have two questions about NAMD using CHARMM force field
The first one is Can NAMD2.7b1 (or later) use specific-ion LJ paramters for
Charmm force field ion?
And the second one is Can NAMD2.7b1(or later) correctly read the CHARMM
general force field parameter in a psf file? It seems that the command "$sel
get charge"
for VMD can not correctly get this information, which may be due to the atom
type for CHARMM general force field atoms are longer than the typical atom

Xingyu Lin
National Institute of Biological Sciences, Beijing
Dr. Niu Huang's Lab
Tel: 80726688-8572
Address: Beijing ZhongGuanCun Life Science Park, NO.7 Science Park East
Road, NIBS B427
Postcode: 102206

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