Hi Erik.
Well, I don't even use the [pairtypes] section in my files. Only use
the [pairs] one, in the way explained before. This means, so, that it
should not have any problem, and reduce "independently" the LJ
potentials by a factor of 0.5, and coulombic interations by a factor
of 0.8333, correct?
Thanks a lot for all the help. And hope these "files structure"
examples helps someone else in the future.
Thanks a lot.
Jones
On 2/13/07, Erik Lindahl <[EMAIL PROTECTED]> wrote:
Hi,
That should be fine, as long as your [pairtypes] section is empty
(i.e., nothing that overrides your generated values).
Cheers,
Erik
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