C6(nbfp,atnr,i,j) = idef->iparams[k].lj.c6; (it is in line 117 of force.c in version 3.3)
and change it to
C6(nbfp,atnr,i,j) = 0;
This will set the attractive interaction between atom i & j to 0.
pb.
On Jun 30, 2006, at 4:14 AM, Alessandro Mattozzi wrote:
Hi All--
I simulate PE using AUA. I would like to switch the attractive term of the vdW force. How can I do it?
Regards
Alessandro Mattozzi
M.Phil., Ph.D. student
Dept. of Fibre and Polymer Technology
Royal Institute of Technology
Stockholm, Sweden
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