On Wed, Jan 16, 2013, Kirill Nuzhdin wrote:
>
> I found "pimd" option in Amber12 manual under "8.3 More information on
> the ADDLES commands and options".
I, too, am confused about why the "pimd" option is not used in the test cases.
But it looks like using it stands a good chance of solving the problems with
large exclusion lists. My very limited experience has always been with the
"full" pimd, and that is certainly what was used in generating the water force
field.
...regards...dac
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Received on Thu Jan 17 2013 - 06:30:03 PST
