[gmx-users] atom types

[Dinesh Pinisetty]

Hi Dr.Warren,
   I mean what those atom types stand for.In the structure I have seen only
5-6 atom types but in the file I have seen like 12 atom types.Why is the
difference and exactly what each of them stands for.I hope you got my
question.
  Thanks in advance.
Thanking you,
Dinesh.








From:gmx-users-bounces at gromacs.org on 07/27/2004 10:47 AM ZE10


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cc:   (bcc: Dinesh Pinisetty/dpinis1/LSU)

Subject:    Re: [gmx-users] atom types




>     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 exactly do you mean by "full form"?  All the types, weights, bond
constants, LJ etc are defined with the files that you can get from his
site, I thought.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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