AMBER Archive (2005)

Subject: AMBER: How can I read parm99.dat file?

From: Myunggi Yi (myunggi_at_csit.fsu.edu)
Date: Wed May 04 2005 - 18:08:49 CDT

Dear users,

I'm trying to add ions using Iodine instead of Cl-.

I made "lib" file according to the ions94.cmd file.

Now I'm trying to make the frcmod file.

Where can I get information to read the parm99.dat file?
===========================================================================
I 126.9 4.690 iodine (Applequist)
I -CT 148.0 2.166 Junmei et al,99
I -CA 171.0 2.075 Junmei et al,99
I -CA-CA 70.0 118.80 Junmei et al,99
I -CT-CT 50.0 106.00 Junmei et al,99
I 2.35 0.40 JCC,7,(1986),230;
======================================================================

I know the first line the first colum is mass, and what is the second
colum and else?

Would you explain frcmod file format? especially NONBOND.

Manual explains only prmtop file format. Amber has many kinds of files,
but I can find the explanation of the files.

Thanks. 

-- 
Best wishes,

Myunggi Yi
==========================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL. 32306

(850) 645-1334
http://www.csit.fsu.edu/~myunggi

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