[gmx-users] problem with chimera opening gromacs 4.6.5 trajectories

[Justin Lemkul]

On 4/23/14, 4:40 PM, Rafael I. Silverman y de la Vega wrote:
> chimera 1.8 crashed. 1.9 (released today) crashed. 1.8.1 crashed. 1.8.1 and
> 1.8 both read older trr files just fine, I didnt try 1.9 on an older trr
> file.
> Maybe its the .tpr file causing the error?
>

I think that's the most likely culprit.  The .tpr format has changed due to new 
features; the Chimera devs will have to update their plugin to interpret the 
contents properly.

-Justin

>
> On Wed, Apr 23, 2014 at 11:20 AM, Rafael I. Silverman y de la Vega <
> rsilverm at ucsc.edu> wrote:
>
>> I'll try 1.8, I've been trying 1.8.1
>>
>>
>> On Wed, Apr 23, 2014 at 11:09 AM, Nicolas Cheron <
>> nicolas.cheron.boulot at gmail.com> wrote:
>>
>>> Which Chimera version are you using? Have you tried the latest (at least
>>> 1.8)?
>>>
>>> http://www.cgl.ucsf.edu/chimera/docs/relnotes/1.8.html : "support
>>> added for Gromacs 4.6 trajectories"
>>>
>>> Nicolas
>>>
>>>
>>> 2014-04-23 14:02 GMT-04:00 Rafael I. Silverman y de la Vega <
>>> rsilverm at ucsc.edu>:
>>>> Hi all
>>>> I have been having problems getting chimera to open 4.6 trajectories. It
>>>> opens trajectory files from gromacs 4.5 just fine. (well, at least some
>>>> chimera builds open the trajecotries).
>>>> I tried using gromacs 4.5 trjconv to make xtc readable by chimera, but,
>>> of
>>>> course that didnt work on the trr made by 4.6.
>>>> Will gromacs 5.0 make chimera readable files, or should I go bother the
>>>> chimera developers?
>>>> --
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>>

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================