thank you very much.
it works now.
best
Albert
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.
-Justin
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
desired.
There is no need to extract a .gro (which has limited precision) to
try to create a new .tpr file.
-Justin
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