Re: [AMBER] Error

From: David A Case <case.biomaps.rutgers.edu>
Date: Sun, 12 Apr 2015 09:14:12 -0400

On Sun, Apr 12, 2015, Adnan Gulzar wrote:

> i am trying to run antechamber on the files PLP_1.pdb and PLP.pdb

Your pdb files are missing all the hydrogen atoms. You need to add these
before running antechamber. You can probably use the reduce program to
add hydrogens to PLP, since it contains just the LLP residue, and reduce
has data for that. For PLP_1, which contains both SER and LLP, you will
have to do some hand-work, I think: use reduce (or other programs) to add
hydrogens to SER and LLP separately, then combine the two into a single PDB
file.

...good luck....dac


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Received on Sun Apr 12 2015 - 06:30:04 PDT
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