[gmx-users] xtc to trr

[Xavier Periole]

Xavier Periole wrote:

> Aswin Narain wrote:
>
>> Hii
>>
>> I have an XTC file from which i need to continue a
>> simulation.. tpbconv doent accept xtc inputs.. so i
>> used trjconv to convert xtc to trr and then fed this
>> trr as input to tpbconv.. but it doesnt seem to be
>> working.. the program counts the frames but the time
>> doesnt move and i am forced to start all over again..
>> how do i get over this problem??
>>
>>  
>>
> Converting xtc to trr will not work as the xtc does not contain
> the same information that trr contains, at least the same precision.
>
> The way around is to write the last conformation you got from in xtc
> in gro and grompp again using this new conformation. You will loose
> precision, but that the only way !!!
>
> XAvier
>
Nuno is right no velovities in xtc. Forget about my suggestion. That was 
on the trr
that it would have worked !!!

-- 
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   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole
   
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