[gmx-users] REMD--how to determine the temperature distribution

[YanhuaOuyang]

When I choose NVT, it appear like this: "ERROR: Can not do constant volume yet!”, do you have other ways to determine the temperature except the two websites?
> 在 2016年4月26日，下午8:16，Mark Abraham <mark.j.abraham at gmail.com> 写道：
> 
> No, just choose NVT.
> 
> Mark
> 
> On Tue, 26 Apr 2016 13:42 YanhuaOuyang <15901283893 at 163.com> wrote:
> 
>> Thank you so much, but the latter one is only suitable for REMD in NPT
>> ensemble.
>>> 在 2016年4月26日，上午1:20，Christopher Neale <chris.neale at alum.utoronto.ca> 写道：
>>> 
>>> There are many published approaches. Here is the one that I use:
>> http://origami.phys.rpi.edu/racc/rate_of_acceptance.php
>>> Another example is here: http://folding.bmc.uu.se/remd/
>>> 
>>> ________________________________________
>>> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
>> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of
>> YanhuaOuyang <15901283893 at 163.com>
>>> Sent: 25 April 2016 10:36
>>> To: gmx-users at gromacs.org
>>> Subject: [gmx-users] REMD--how to determine the temperature distribution
>>> 
>>> Dear all,
>>>       I am going to run a REMD of a protein(explicit solvent) in NVT
>> ensemble with gromacs, but I have trouble in determining a optimum
>> temperature  distribution.Can anybody know the ways to determine the
>> temperature?
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