VMD-L Mailing List

From: Philip Blood (philb_at_hec.utah.edu)
Date: Fri Mar 11 2005 - 13:18:22 CST

Correction: I thought I had seen this behavior in autoionize, but it
looks like it only occurs in the solvate plugin. I am using VMD 1.83
and running solvate from the command line.
 
Phil
 
-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf
Of Philip Blood
Sent: Friday, March 11, 2005 10:53 AM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: limit on segment atom number in solvate and autoionize
 
Hi,
 
The solvate and autoionize plugins can only read in coordinates for 999
atoms in a given segment even though the charm default is (a much more
convenient) 9999. Is there any way around this limitation besides
chopping up the system into segments of 999? Is there a reason why it
is done this way and could it be easily changed?
 
Thanks,
Phil Blood