Jia Haitao wrote:
I have construct two table files: table_b0.xvg for A-A bond,
table_b1.xvg for B-B bond.
and generated the bonds part of the topology file like this:
[ bonds ]
; ai aj funct table_number k
1 2 8 0 1.000
2 3 8 0 1.000
......
55 56 8 1 1.000
56 57 8 2 1.000
......
as force constant k is a function, so I set k = 1.000 and combine it with f.
Am I correct?
Probably not. You've listed a table for n=2 but you don't actually use a
table_b2.xvg, from what you've indicated.
Doing your own tests will be substantially faster than waiting for an email
reply. If you encounter a specific problem, post that.
-Justin
Thank you very much. I really appreciate your help, Justin.
--
*/
Jia Haitao
State Key Laboratory of Polymer Physics and Chemistry
Changchun Institute of Applied Chemistry
Chinese Academy of Sciences
Changchun 130022, CHINA
/*
--
========================================
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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