AMBER Archive (2009)

Subject: Re: [AMBER] Scripting tleap

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Put your commands in a separate file and use the -f flag to tleap, as
you did for leaprc.ff99SB.

--Tom

2009/11/28 Jack Shultz <js_at_drugdiscoveryathome.com>:
> I am trying to send some arguments to tleap. Is there a way to pass
> these through a script.
>
> str1=loadpdb pdb100d.ent
> savepdb str1 pdb100d.pdb
> quit
>
> I tried writing a file then redirecting input to it
> tleap -f /usr/local/antechamber-1.27/dat/leap/cmd/leaprc.ff99SB < tleap.in
>
> no luck
>
> --
> Jack
>
> http://drugdiscoveryathome.com
> http://hydrogenathome.org
>
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