HI Mark and Fenghui,
Thanks. I did not start xleap like in tutorial. So that was the
reason why I was getting the error.
ThuZar
I do not know whether it will be workable if you
change "solvateOct SUS TIP3PBOX 10" to "solvateoct
SUS TIP3PBOX 10" .
Best regards.
Fenghui Fan
--- "Lwin, ThuZar" <ThuZar.Lwin.stjude.org> 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?
>
>
>
> Loading parameters:
> /home/tlwin/local/amber9/dat/leap/parm/gaff.dat
>
> Reading title:
>
> AMBER General Force Field for organic mol., add.
> info. at the end (June,
> 2003)
>
> Loading parameters: ./sustiva.frcmod
>
> Reading force field modification type file (frcmod)
>
> Reading title:
>
> remark goes here
>
> Loading Prep file: ./sustiva.prepin
>
> solvateOct: Argument #1 is type String must be of
> type: [unit]
>
> usage: solvateOct <solute> <solvent> <buffer>
> [aniso] [closeness]
>
>
>
> Thank you in advance,
>
> ThuZar
>
>
>
>
>
>
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Received on Sun Nov 12 2006 - 06:07:25 PST
