[gmx-users] Script for atom typing for AMBER convention
erikm at xray.bmc.uu.se
Wed Nov 22 12:14:54 CET 2006
To be honest, I really don't think it's that hard to automate with a bit of
scripting using awk, grep, sed and similar tools. It might even be quicker
writing such a script yourself than searching for one. Anyway, good luck
finding or writing one.
----- Original Message -----
From: "raja" <raja_28 at fastmail.us>
To: <gmx-users at gromacs.org>
Sent: Wednesday, November 22, 2006 11:50 AM
Subject: [gmx-users] Script for atom typing for AMBER convention
I am searching for a script to convert the existing PDB (protein) file's
atoms and residues types to AMBER typing convention. I knew a script of
this sort should be somewhere around...but after a long search, I could
not spot it out. Please help me to spot it. I am using AMBER99 force
field downloaded from ffAMBER site.
raja_28 at fastmail.us
http://www.fastmail.fm - I mean, what is it about a decent email service?
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