AMBER: atom types

From: deepti nayar <>
Date: Thu, 22 Feb 2007 11:13:38 +0530

i have my protein in sybyl and now when i load it in xleap the atom
names are different since the convention used in both the programs is
different. my protein is a non standard one and so i have to add atom
name to some of the atoms presenr in it.

for ex

in the frcmod file that i created there are certain angles to be
parameterized. it says

ca-ca-ca-ha general improper torsional angle

now im not able to identify where are these atoms in my structure in
xleap since atom naming conventions are diferent

also please tell me what is this and PERT.type in the atom
editor table in xleap? what am i supposed to write here.

any help will be greatly appreciated.

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Received on Sun Feb 25 2007 - 06:07:15 PST
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