[gmx-users] t_trxframe speed units

aherz alexander.herz at mytum.de
Fri Sep 4 15:57:15 CEST 2009


I understand.
I would look at it myself, but the time for my thesis is running out so
I cannot spend much time
looking at issues unrelated to my actual problem. Next week sounds great.

Alex

Berk Hess schrieb:
> I should have time next week to do this.
> The problem with these kind of things is that you have
> to make sure that it works under all conditions and that grompp
> should have checks for all conditions under which it does not work.
>
> Berk
>
>   
>> Date: Fri, 4 Sep 2009 13:27:46 +0200
>> From: alexander.herz at mytum.de
>> To: gmx-users at gromacs.org
>> Subject: Re: [gmx-users] t_trxframe speed units
>>
>> sure,
>>
>> I'll update to the head revision as soon as a fix is available.
>> Any idea how long this will take?
>>
>> Alex
>>
>> Berk Hess schrieb:
>>     
>>> Thinking about this, I will probably not fix it in 4.0,
>>> but only in git master for 4.1.
>>>
>>> There are several issues with pulling "infinitely" long/far.
>>> One of them is that you can no longer determine the virial contribution
>>>       
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