[gmx-users] Maximum protein size for REMD?

[Erik Marklund]

I used the REMD temperature generator. Needless to say, we got really tight spacing and the enhancement to the sampling was probably small. The whole setup was pretty experimental. The run was completed.

Erik
 
On 9 Apr 2013, at 10:01, Nikunj Maheshwari <nixcrazyforher at gmail.com> wrote:

> How did you get the final temperature spacing for the run? Did you get the
> fitted values using polynomial fit?
> Was the run completed?
> 
> On Tue, Apr 9, 2013 at 1:27 PM, Erik Marklund <erikm at xray.bmc.uu.se> wrote:
> 
>> I've tried one with 666 aa, but with no publishable results.
>> 
>> On 9 Apr 2013, at 09:47, Nikunj Maheshwari <nixcrazyforher at gmail.com>
>> wrote:
>> 
>>> Dear all...
>>> 
>>> Does anyone has any idea what is the maximum protein size for which a
>>> successful REMD run has taken place?
>>> We have went through lots of research papers, but could not find any
>>> protein/peptide above 100 aa related to REMD.
>>> We have a protein of 292 aa.
>>> 
>>> Thanks.
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