Lwin, ThuZar wrote:
> Hi everyone,
>
> I am following the antechamber tutorial and I am using amber9.
>
> I have created “sustiva.frcmod sustiva.prepin” according to the
> tutorial and loaded them in xleap. When I tried to solvate the molecule
> using the command “solvateOct SUS TIP3PBOX 10” I got the following
> message. Why is it complaining like that?
Did you start xleap in the following manner (as instructed by the tutorial)?
$AMBERHOME/exe/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99
regards,
Mark
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Received on Sun Nov 12 2006 - 06:07:24 PST
