AMBER Archive (2006)

Subject: Re: AMBER: antechamber:tutorial

From: Mark Williamson (Mark.Williamson_at_imperial.ac.uk)
Date: Thu Nov 09 2006 - 13:06:24 CST

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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