Lara Bunte wrote:
Hi
My topology file which I get after pdb2gmx has in one section following section:
[ pairs ]
; ai aj funct c0 c1 c2 c3
1 5 1
1 6 1
1 9 1
1 17 1
Is it correct that there are no entries in c0, c1, c2 and c3? What is the problem?
There is no problem. Pair parameters are referenced from [pairtypes] in
ffnonbonded.itp or otherwise generated if gen-pairs is set to "yes" in the
[defaults] directive of the force field.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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