Hi Justin,
thank you for your quick reply.
When you say:
..Probably by analyzing them individually with mdrun -rerun to recalculate
each frame. Tedious, but can be easily scripted...
do you mean I have to run g_enemat module using -b and -e options in order
to set the first and the last frame
On 10/8/12 3:14 AM, federico vaglio wrote:
Hi Justin,
thank you for your quick reply.
When you say:
..Probably by analyzing them individually with mdrun -rerun to recalculate
each frame. Tedious, but can be easily scripted...
do you mean I have to run g_enemat module using -b and -e
Dear all,
I would like to extract the interaction energies (LJ
and electrostatic) between each residue pairs from my trajectory.
The g_enemat tool generates only 3 xpm image files (Coul-SRemat.xpm,
LJ-SRemat.xpm, totalemat.xpm) but not a data file with
the residue-residue interaction energies I'm
On 10/5/12 1:40 PM, federico vaglio wrote:
Dear all,
I would like to extract the interaction energies (LJ
and electrostatic) between each residue pairs from my trajectory.
The g_enemat tool generates only 3 xpm image files (Coul-SRemat.xpm,
LJ-SRemat.xpm, totalemat.xpm) but not a data file
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