[gmx-users] truncated LJ potential

Makoto Yoneya makoto-yoneya at aist.go.jp
Fri Jan 28 05:44:09 CET 2011


Dear Mark and all:

Dr. Mark Abraham wrote:
> So you have to update the machinery that parses the .top to recognise 
> that the value of 4 is now legal.
and also
> Did you set the environment variable to actually call the generic 
> nonbonded lists?

Thanks a lot for your comments.
I did not care these at all.
Which part of the manual contain the info?
(I'd tried a search in the GROMACS web page, but I could not find that.)
How can I do the recognision and set the environment variable?

Regards

Makoto Yoneya, Dr.
http://staff.aist.go.jp/makoto-yoneya/





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