Re: [gmx-users] tpbconv and tpr file problem...

Thanks On Fri, Mar 16, 2012 at 10:37 AM, Mark Abraham wrote: > On 17/03/2012 12:39 AM, Anthony Cruz Balberdi wrote: > > > On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham wrote: > >> On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote: >> >>> Hi Users: >>> >>> I was trying to calculate the energy c

Re: [gmx-users] tpbconv and tpr file problem...

On 17/03/2012 12:39 AM, Anthony Cruz Balberdi wrote: On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham > wrote: On 15/03/2012 5:33 AM, Anthony Cruz Balberdi wrote: Hi Users: I was trying to calculate the energy contribution of an specif

Re: [gmx-users] tpbconv and tpr file problem...

On Wed, Mar 14, 2012 at 8:42 PM, Mark Abraham wrote: > 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 o

Re: [gmx-users] tpbconv and tpr file problem...

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 to

[gmx-users] tpbconv and tpr file problem...

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 t