VMD-L Mailing List

From: viktor (linux776_at_gmail.com)
Date: Tue Oct 20 2020 - 14:38:06 CDT

В Tue, 20 Oct 2020 14:28:12 -0500
John Stone <johns_at_ks.uiuc.edu> пишет:

> 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
>

I can do more thorough testing soon. You can use my original example tarball located here
(https://ftp.desolve.ru/ftp/viktor/vmd_test.tar.gz) 

-- 
73, Viktor