On 8/11/2011 11:23 PM, ?? wrote:
dear teacher,
if i want to do remd with different tabulated potentials.
how can i use the mdrun's -table (-table table.xvg -tableb table.xvg )?
if it can also use like that,there is another question:
and how can i rename the tables name ( table_CR1_CR1: i rename
them table_CR1_CR10,table_CR1_CR11,table_CR1_CR12...,
i test this is wrong!!!
)
thanks!!!!
Perhaps for this you need to use mdrun -multidir, which allows the files
for each REMD replica to live in its own directory. Now those directory
names are provided to -multidir, and the filenames within each directory
do not need to be patched with the replica ID.
Mark
regards,
PHD, Bo Du
Department of Polymer Science and Engineering,
School of Chemical Engineering and technology,
Tianjin University, Weijin Road 92, Nankai District 300072,
Tianjin City P. R. China
Tel/Fax: +86-22-27404303
E-mail: 2008d...@gmail.com <mailto:2008d...@gmail.com>
<mailto:2008d...@gmail.com <mailto:2008d...@gmail.com>>
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