Hi,
One could just avoid using -deffnm and avoid creating problems ;-) Or if
the md_0_1 name reveals that what you want is each piece on its own, and to
have to append manually later, use just -noappend and let mdrun generate
md.part0001.log, energy.part0001.log etc for you.
Mark
On Fri, Jan
On 1/19/18 11:53 AM, ZHANG Cheng wrote:
Thank you very much Justin! Sorry I did not realise that.
I will need to include an "except md_0_1.edr" in the deletion.
But does it correct that I can delete all the log files?
md_0_1.e
md_0_1.o
md_0_1.pe
md_0_1.po
Those are output from your
Thank you very much Justin! Sorry I did not realise that.
I will need to include an "except md_0_1.edr" in the deletion.
But does it correct that I can delete all the log files?
md_0_1.e
md_0_1.o
md_0_1.pe
md_0_1.po
-- Original --
From: "ZHANG
On 1/19/18 11:45 AM, ZHANG Cheng wrote:
Dear Gromacs,
I run Gromacs on our cluster, and use this command to continue my run from last
checkpoint.
gmx mdrun -deffnm md_0_1 -cpi -append
Each new run will generate four log files:
md_0_1.e
md_0_1.o
md_0_1.pe
md_0_1.po
Gradually, I have
Dear Gromacs,
I run Gromacs on our cluster, and use this command to continue my run from last
checkpoint.
gmx mdrun -deffnm md_0_1 -cpi -append
Each new run will generate four log files:
md_0_1.e
md_0_1.o
md_0_1.pe
md_0_1.po
Gradually, I have thousands of log files. So I used these
