dongsheng zhang wrote:
Hello,
I have build my own FF for a copolomer. When I ran the program, I got KE
is NaN. I checked the output file trr. I found the initial forces of all
particles at frame 0 are infinite. Could anyone tell me why this
happened? Where I might make a mistake? Thank you in advance!
You could have made a mistake at every step. You should do some tutorial
material, and get used to the mechanics *before* you attempt to define
and use your own forcefields. Learn to walk before trying to run. Check
out most of the wiki at http://wiki.gromacs.org
Mark
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