[AMBER] Order of the atom in prep ourput of antechamber

From: Nicholus Bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Fri, 10 Jul 2015 10:52:24 +0200

Hello all,

I am trying to prepare prep file with antechamber using mol2 file which
include the charges. However I find that antechamber changes the order of
the atoms from that present in the mol2 file. Is it inherent property of
antechamber or is there any other key word in the command which keeps the
order of the atom.

my command is as below

$ antechamber -i Mol-ia3_m1-c1.mol2 -fi mol2 -o pep.prep -fo prepi

I am including the initial mol2 and final prep file as attachment. Thanks
in advance for suggestion.

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Received on Fri Jul 10 2015 - 02:00:02 PDT
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