On 03/12/2011 02:10 PM, Justin A. Lemkul wrote:
Steve Vivian wrote:
On 03/12/2011 01:36 PM, Justin A. Lemkul wrote:
Steve Vivian wrote:
On 03/12/2011 12:51 PM, Justin A. Lemkul wrote:
Getting hard to follow, so I put my new comments in blue.
Output from Energy Minimization
Steepest
orm of force = 2.88274347161761e+01
Steve Vivian wrote:
Based on a preliminary test using multiple threads, the issue is not
resolved.
This leads me to believe that my Unit Cell is not built properly.
Below is the procedure used to build the unit cell. I have reviewed
it many
times, bu
t for GROMACS users
Subject: Re: [gmx-users] Fwd: KALP-15 in DPPC Tutorial Step 0 Segmentation
Fault
Steve Vivian wrote:
> On 03/08/2011 10:23 PM, Justin A. Lemkul wrote:
>>
>>
>> Steve Vivian wrote:
>>>
>>> New to Gromacs.
>>>
>>> Worked
On 03/08/2011 10:23 PM, Justin A. Lemkul wrote:
Steve Vivian wrote:
New to Gromacs.
Worked my way through the tutorial with relatively few issues until
the Equilibration stage. My system blows up!!
Returned to the Topology stage and rebuilt my system ensuring that I
followed the
w as 100kJ which did not help)
-modified neighbours list parameters
Any help is appreciated.
I can attach and forward any further information as required, please let
me know.
Regards,
Steve Vivian.
sviv...@uwo.ca
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