AMBER Archive (2004)

Subject: AMBER: MAXRMSPT error in MOIL-view

From: Robyn Ayscue (kajsicat_at_yahoo.com)
Date: Thu Jul 01 2004 - 17:19:23 CDT

All,

I'm having a problem trying to run a cluster
trajectory with MOIL-view (I've tried this on versions
10.2 and 9.1). The molecule I'm working with is a
modified DNA thymidine 15-mer (no solvent, no ions),
and I'm using an SGI machine running IRIX 6.5.24.

First, I load a .pdb file using distance bonds, and
then I slect "cluster trajectory" from the right-click
menu. It asks me if I want to load data from a file
and I click "no," so it give me the pick command line.
I type "pick chem prtc * done," because I want to
select all the atoms in the system. As soon as I enter
the pick command and click "done," it tells me the
number of selected particles ("# selected = 991, Click
to continue"). But when I click on that dialogue box
it then says "Exceeded MAXRMSPT" and doesn't go any
further. I tried to enter a different pick ("pick #mon
1 30 done," because there are 30 bases in my oligo)
and I still get the same error. Then I tried to raise
the limit of the MAXRMSPT and MAXRMSFT parameters in
the LENGTH.BLOCK file, as per the instructions in the
manual, but I didn't see those parameters listed
there. Has anyone else been afflicted with this? Any
help would be greatly appreciated.

Yours,
Robyn Ayscue

                
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