Dear Gromacs Users!
I have two trajectories with removed PBC which was done by the below command.
trjconv -s MD_B2ar_WP_3.tpr -f MD_B2ar_WP_3.trr -o md_noPBC.xtc -pbc
mol -ur compact
Both of that trajectories are of the same system- when one trajectory
have been manyally stoped I've run the
On 7/18/12 7:35 AM, James Starlight wrote:
Dear Gromacs Users!
I have two trajectories with removed PBC which was done by the below command.
trjconv -s MD_B2ar_WP_3.tpr -f MD_B2ar_WP_3.trr -o md_noPBC.xtc -pbc
mol -ur compact
Both of that trajectories are of the same system- when one
Justin
thanks for advise
I've used the bellow command for both trajectory
trjcat -f md_noPBC.xtc md_noPBC_GO.xtc -tu ps -o merged_noPBC.xtc
but resulted merged_noPBC.xtc consist of data from only second
trajectory although in the log file both trajectories have been
processed
File
On 7/18/12 9:34 AM, James Starlight wrote:
Justin
thanks for advise
I've used the bellow command for both trajectory
trjcat -f md_noPBC.xtc md_noPBC_GO.xtc -tu ps -o merged_noPBC.xtc
but resulted merged_noPBC.xtc consist of data from only second
trajectory although in the log file both
Justin thanks,
Works perfect.
James
2012/7/18 Justin Lemkul jalem...@vt.edu:
On 7/18/12 9:34 AM, James Starlight wrote:
Justin
thanks for advise
I've used the bellow command for both trajectory
trjcat -f md_noPBC.xtc md_noPBC_GO.xtc -tu ps -o merged_noPBC.xtc
but resulted
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