Anamika Awasthi wrote:
> shall we mention in this way?
> steps:
> 1- tpbconv -f old.trr -e old.edr -s old.tpr -o new.tpr
> 2- mdrun -v -deffnm new.tpr
As "mdrun -h" tells you, "-deffnm xxx" sets the default filename for all
file options. What it doesn't say is that it sets the default fil
> shall we mention in this way?
> steps:
> 1- tpbconv -f old.trr -e old.edr -s old.tpr -o new.tpr
> 2- mdrun -v -deffnm new.tpr
hello Sudheer.
As i know about this command, this is only a shortcut and it takes all the
filename as default,
so if we will do mdrun after a second or third crash, all
On Tue, 13 May 2008 13:21:12 +0530
"sudheer babu" <[EMAIL PROTECTED]> wrote:
shall we mention in this way?
steps:
1- tpbconv -f old.trr -e old.edr -s old.tpr -o new.tpr
2- mdrun -v -deffnm new.tpr
check (gmxcheck -h) the content of trr and edr files!
.trr should contain coordinates and velociti
shall we mention in this way?
steps:
1- tpbconv -f old.trr -e old.edr -s old.tpr -o new.tpr
2- mdrun -v -deffnm new.tpr
Thanks in advance.
On Mon, 12 May 2008 15:10:32 +0530
"Anamika Awasthi" <[EMAIL PROTECTED]> wrote:
> Dear Friends,
>If my simulation crashed because of power failure,
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