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Error when using mdrun
- Leliel
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10 years 6 months ago - 10 years 6 months ago #2531
by Leliel
Error when using mdrun was created by Leliel
hi,
i'm using gromacs 3.3.1 to do the coarse grained work,
when i use mdrun to run a md.mdp, it comes out a error that
"can not open file: xx.xtc". (it's odd that the xtc file is the output file,how to open it when the mdrun is not finished??)
my input command is : mdrun -v -deffnm md ,
so what's the problem??
thanks in advance!!
i'm using gromacs 3.3.1 to do the coarse grained work,
when i use mdrun to run a md.mdp, it comes out a error that
"can not open file: xx.xtc". (it's odd that the xtc file is the output file,how to open it when the mdrun is not finished??)
my input command is : mdrun -v -deffnm md ,
so what's the problem??
thanks in advance!!
Last edit: 10 years 6 months ago by Leliel.
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- xavier
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10 years 6 months ago #2535
by xavier
Replied by xavier on topic Error when using mdrun
Any specific reason for you to use an old version of gromacs? any 4.X version would be much faster. With 4.6.3 you may have a factor of 2/3!Leliel wrote: hi,
i'm using gromacs 3.3.1 to do the coarse grained work,
You may be out of quota? No reason for GMX not to be able to open this file.when i use mdrun to run a md.mdp, it comes out a error that
"can not open file: xx.xtc". (it's odd that the xtc file is the output file,how to open it when the mdrun is not finished??)
my input command is : mdrun -v -deffnm md ,
so what's the problem??
thanks in advance!!
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