On 3/22/13 9:18 AM, 라지브간디 wrote:
Dear Justin,
I got understand the gromos ff improper style. however, what i am asking here
is how would i use the charmm/amber improper from literuatre where they
indicate the improper in this was ( something X-X)
Improper
CPB-X-X-CR1E 90.0 0.0
CC - X-X-NB 18.3 0.0
What X shows here and how do i use this in gromos format way?
I don't understand entirely what you're trying to do. You shouldn't be trying
to implement CHARMM or AMBER parameters in Gromos. X is a generic indicator
signifying any atom.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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