AMBER Archive (2002)

Subject: RE: Order of a protein, bound waters and ligand in saveamberparm

From: Masaki Tomimoto (masaki_at_stromix.com)
Date: Thu Aug 15 2002 - 17:04:18 CDT

Dear Dr. Boss

  Thank you very much for giving a hint. I took a look at the library file. I guess that the parameter called "imagingx" is likely to be involved in my problem. Although I looked through AMBER manual, I could not find any description about its details. I am very pleased if you could tell me how I can get detailed description about library files.

Thanks,

Masaki Tomimoto

-----Original Message-----
From: Bill Ross [mailto:ross_at_cgl.ucsf.EDU]
Sent: Thursday, August 15, 2002 2:00 PM
To: Masaki Tomimoto
Cc: case_at_scripps.edu
Subject: Re: Order of a protein, bound waters and ligand in
saveamberparm

> created a library file which contains the same
> information as "TP3" in "solvent.lib".

Perhaps it also contains the info that the residue is a solvent?
This would cause it to be sorted to the end in saveamberparm.

Bill Ross