Re: [AMBER] Generating ".prmtop" and ".inpcrd" from a .pdb file(case)

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 29 Jan 2013 10:03:10 -0500

On Mon, Jan 28, 2013, Jonathan Saboury wrote:
> Thank you for the response case (dac?)!
>
> I figured out that I could run antechamber with
> "$AMBERHOME/AmberTools/bin/antechamber hexane.pdb -fi pdb -o hexane.mol2
> -fo mol2 -c bcc -s 2"
>
> However, I cannot for the life of me figure out where to put hexane.pdb in
> order for it to be read in (can you tell I am a Linux noobie?).

You need to put "-i" before "hexane.pdb" in the above command.

...dac


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Received on Tue Jan 29 2013 - 07:30:03 PST
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