VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Oct 20 2020 - 14:28:12 CDT

Hi Viktor, Josh,
  This has been on my TODO list, but it has been behind other higher priority
items since it doesn't affect as many users as some other problems ddid,
and since plugins can easily be compiled outside of VMD by users and
loaded on-demand at runtime.

Viktor: Did you try using the patched plugin source
code that Josh posted back in February? I hadn't heard any followup
from anyone since that discussion.

One thing I need that would make it a lot easier for me to accept
Josh's patch would be several example AMBER restart file test cases.

The patch Josh sent changes multiple aspects of how the parsing works
so that it will also skip over optional velocity data, so these are
things that need to be tested carefully, not only on Unix where I'm
sure he has done sufficient testing himself, but also on Microsoft Windows,
where some of the file I/O APIs have different behavior than they do
on Unix.

I'm perfectly happy to do that testing, but I need example
AMBER files to test with. If you can provide some, that would
be very helpful to me and would make it possible for me to work through
this much sooner, particularly now that I have up-to-date Windows
builds of VMD for both 32-bit and 64-bit Windows working locally.

Best,
  John Stone

On Tue, Oct 20, 2020 at 12:02:03AM +0300, viktor wrote:
> Seems like patch hasn't been included in any of the alpha releases since February. Any troubles
> with it?
>
> --
> 73, Viktor 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/