dpinis1 at lsu.edu
Tue Jul 27 21:55:54 CEST 2004
I mean what does atom typr 'LO' or 'LOM' stand for.In DPPC we have
CH2,CH3,P,N,O atom types when i have seen its structure but in Dr.Tielman's
site I have downloaded lipid.itp and dppc.itp files wherein we have 12 atom
types like 'LO' 'LOM' 'LC3' 'LC2' etc.Full form means,I does not mean
charges,bond types etc I need what exactly they stand for.As a very
beginner I just want to understand atom types present in the file
properly.When I see DPPC structure I have seen 5-6 atom types but in the
file I have 12 atom types or so.
Please tell me what they stand for and why there is a difference in the
atom types between the structure and in the file.
I hope you got what I mean.Thanks a lot in advance..........
From:gmx-users-bounces at gromacs.org on 07/26/2004 05:41 PM ZE2
Sent by: gmx-users-bounces at gromacs.org
Please respond to Discussion list for GROMACS users <gmx-users at gromacs.org>
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cc: (bcc: Dinesh Pinisetty/dpinis1/LSU)
Subject: Re: [gmx-users] atoms
Dinesh Pinisetty wrote:
> Hi all,
> Could anyone please tell me where I can get the full forms of all the
> atomtypes used in pdb files and .itp files.If suppose I want to know the
> full form of atomtypes 'LO' or 'LOM' or 'CA' etc which are present in the
> lipid.itp files of Dr.Tielmans website,where should I refer to.
What do you mean by 'full form'? The [atomtypes] section defines the mass,
LJ parameters and charge. What else is there to know?
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