hello:
I've finished a MD job and I am wondering how can we extract
individual pdb from trajectories in Gromacs? each time I always get a
single pdb contains lots of snapshots.
thank you very much
best
Albert
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gmx-users mailing listgmx-users@gromacs.org
On 4/05/2012 1:10 AM, Albert wrote:
hello:
I've finished a MD job and I am wondering how can we extract
individual pdb from trajectories in Gromacs? each time I always get a
single pdb contains lots of snapshots.
See trjconv -h
Mark
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gmx-users mailing listgmx-users@gromacs.org
In particular, look at the option -sep
2012/5/3 Mark Abraham mark.abra...@anu.edu.au
On 4/05/2012 1:10 AM, Albert wrote:
hello:
I've finished a MD job and I am wondering how can we extract individual
pdb from trajectories in Gromacs? each time I always get a single pdb
contains lots of
On 05/03/2012 05:12 PM, francesco oteri wrote:
In particular, look at the option -sep
thank you for kind reply. but how to superimposed the left snapshot with
the first one?
thanks again for helps
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gmx-users mailing listgmx-users@gromacs.org
-fit
2012/5/3 Albert mailmd2...@gmail.com
On 05/03/2012 05:12 PM, francesco oteri wrote:
In particular, look at the option -sep
thank you for kind reply. but how to superimposed the left snapshot with
the first one?
thanks again for helps
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gmx-users mailing list
thank you very much.
I found a problem : there is no option to select step. eg:
I would like to export one snapshot at each 10ps, I don't find such
kind of options..
THX
On 05/03/2012 05:21 PM, francesco oteri wrote:
-fit
2012/5/3 Albert mailmd2...@gmail.com
On 5/3/12 11:58 AM, Albert wrote:
thank you very much.
I found a problem : there is no option to select step. eg:
I would like to export one snapshot at each 10ps, I don't find such kind of
options..
That's what you can use -skip or -dt for. Alternatively, dump out frames at
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