subject:"\[gmx\-users\] Microporous simulation"

Re: [gmx-users] Microporous simulation

2011-04-20 Thread Justin A. Lemkul

Hernan Ahumada wrote: Hi everyone I am trying to run a simulation of Alpo (aluminophosphates) microporous material, the topology of the material was build using x2top (it had been checked). I got all the bonding and nonbonding parameters, when I run the energy minimization of this system, I

[gmx-users] Microporous simulation

2011-04-20 Thread Hernan Ahumada

Hi everyone I am trying to run a simulation of Alpo (aluminophosphates) microporous material, the topology of the material was build using x2top (it had been checked). I got all the bonding and nonbonding parameters, when I run the energy minimization of this system, Iget this : Steepest Desce