[gmx-users] job restart error
mailmd2011 at gmail.com
Tue Sep 4 23:12:57 CEST 2012
thank you very much.
it works now.
On 09/04/2012 11:06 PM, Justin Lemkul wrote:
> On 9/4/12 5:03 PM, Albert wrote:
>> On 09/04/2012 10:59 PM, Justin Lemkul wrote:
>>> If your files have been modified in some way, you can't use -append.
>> HI Justin:
>> thanks for kind reply.
>> Do you have any sugguestion for continue the jobs? shall I extract
>> the .gro
>> file at the last moment and make a new .tpr file to continue. Will
>> the results
>> the same as -append does?
> You don't need to do anything other than remove -append from your
> command. The checkpoint file will ensure an exact continuation and
> you will get a new set of files that can be concatenated later if
> There is no need to extract a .gro (which has limited precision) to
> try to create a new .tpr file.
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