Ah yes - maybe it was 'extended' format PSFs I was thinking of and not
xplor psfs. Although there is this commit:
commit a5e5dc788f33b065c636888614cb3f702a782366
Author: Mike Crowley <michael.crowley.nrel.gov>
Date: Thu Mar 31 17:44:34 2011 -0600
MFC adds testing of extended format psf,topology,parameter files
commit d269d1aa6fc5f2defc743c07609200b69ae2578c
Author: Mike Crowley <michael.crowley.nrel.gov>
Date: Thu Mar 31 15:30:12 2011 -0600
MFC new top/par files, rearranging saved files, adding xplor format testing
But I am guessing it was never finished - so yes I think the only option
right now is to use charmm to convert a VMD xplor format psf to a charmm
format psf.
On 2/14/14, 11:09 AM, "Jason Swails" <jason.swails.gmail.com> wrote:
>On Fri, Feb 14, 2014 at 1:29 PM, Ross Walker <ross.rosswalker.co.uk>
>wrote:
>
>> Chamber was supposed to have been updated to support XPLOR psf's:
>>
>> commit 32ca3f6ccf3b7262916be3d8ff679879914a7f7d
>> Author: Mark Williamson <mw529.cam.ac.uk>
>> Date: Fri Jun 3 10:47:50 2011 +0100
>>
>> Add support for VMD compatible CHAMBER prmtops
>>
>
>This doesn't mean what you think it means. It means that chamber will now
>output prmtops that VMD can read as a valid amber topology file. It's for
>use with visualization, not simulations.
>
>I don't think XPLOR support has ever been there (nor is there any kind of
>timeline for its addition AFAIK).
>
>All the best,
>Jason
>
>--
>Jason M. Swails
>BioMaPS,
>Rutgers University
>Postdoctoral Researcher
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 14 2014 - 12:00:02 PST
