On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote:
Hi Users:
I was trying to calculate the energy contribution of an specific ion in
my simulation. After extract a given frame from the simulation, I
recalculate
On 17/03/2012 12:39 AM, Anthony Cruz Balberdi wrote:
On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham mark.abra...@anu.edu.au
mailto:mark.abra...@anu.edu.au wrote:
On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote:
Hi Users:
I was trying to calculate the energy
Thanks
On Fri, Mar 16, 2012 at 10:37 AM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 17/03/2012 12:39 AM, Anthony Cruz Balberdi wrote:
On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote:
Hi Users:
I was
Hi Users:
I was trying to calculate the energy contribution of an specific ion in my
simulation. After extract a given frame from the simulation, I recalculate
the energies of this frame with mdrun -rerun. Then I used tpbconv and
editconf to create a new gro file and a new tpr without the ion. I
On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote:
Hi Users:
I was trying to calculate the energy contribution of an specific ion
in my simulation. After extract a given frame from the simulation, I
recalculate the energies of this frame with mdrun -rerun. Then I used
tpbconv and editconf
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