[gmx-users] continuing run with tpbconv

[Anton Feenstra]

David van der Spoel wrote:
> 
> On Tue, 2002-07-02 at 05:16, prakash sista wrote:
> >
> > Hello all,
> >
> > I am doing the simulation of a pentapeptide for one nano second.
> > In between there is a power failure and the simulation stopped in
> > the middle and when I try to resume it using tpb conv I got the
> > following error.
> > 
[...snip...]
> 
> You have one half frame in your trajectory.
> You have to repair your trj before trjcatting. Easiest is probably using
> trjconv to copy it to a new file (until 480 ps only).

In all likelyhood, trjcat will do the job for you. Try it and verify
the integrity of your concatenated trajectory using gmxcheck.
As for tpbconv, taking the 480ps frame is probably the best you can
do in your situation.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
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