[gmx-developers] More about the Ekin issue.

[Xavier Periole]

Xavier Periole wrote:

> David wrote:
>
>> On Mon, 2005-08-15 at 18:17 +0200, Xavier Periole wrote:
>>  
>>
>>> Berk Hess wrote:
>>>
>>>   
>>>
>>>>> Ok, I sorted out the problems.
>>>>>
>>>>> 1) for the small system, the reaction-field was actually gone from 
>>>>> the mdp file
>>>>> I used to run gmx33b. Using the tpr from gmx3.1 gives a difference 
>>>>> of Epot
>>>>> but this time it is what one would expect from the difference of T.
>>>>> 2) for the big system the RF for excluded atoms was responsible. 
>>>>> Again using
>>>>> the tpr from gmx3.1 give a difference but expected from the 
>>>>> difference in T.
>>>>>
>>>>> I'd like to get more detail about this RF correction that is 
>>>>> included (or excluded)
>>>>> in gmx33. could you be more precise ?
>>>>>       
>>>>
>>>> See the CVS manual and the CVS mdp_opt.html
>>>>
>>>>     
>>>
>>> where can I find the CVS Manual ?
>>>   
>>
>>
>> cvs co manual
>>
>>  
>>
> got the error :
> make: *** No rule to make target `programs.txt', needed by 
> `proglist.tex'.  Stop.

It is working now ... tks

-- 
----------------------------------
 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
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 9747 AG Groningen
 The Netherlands
 
 Tel: +31-503634329
 Fax: +31-503634800
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole
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