Re: [gmx-users] bonds braking

2012-10-15 Thread Eduardo Oliveira
Thanks a lot! De: Justin Lemkul Para: Discussion list for GROMACS users Enviadas: Segunda-feira, 15 de Outubro de 2012 9:42 Assunto: Re: [gmx-users] bonds braking On 10/15/12 8:40 AM, Eduardo Oliveira wrote: > Thanks! > > So, if i understood

Re: [gmx-users] bonds braking

2012-10-15 Thread Justin Lemkul
*Para:* Eduardo Oliveira ; Discussion list for GROMACS users *Enviadas:* Segunda-feira, 15 de Outubro de 2012 9:14 *Assunto:* Re: [gmx-users] bonds braking On 10/15/12 8:09 AM, Eduardo Oliveira wrote: > Hi, > > I'm having trouble simulating a protein kinase on water. During

Re: [gmx-users] bonds braking

2012-10-15 Thread Justin Lemkul
On 10/15/12 8:09 AM, Eduardo Oliveira wrote: Hi, I'm having trouble simulating a protein kinase on water. During the simulation, the molecule moves towards the box limits and some residues apear on the other side. Almost like they are interacting with water molecules on different sides of t

[gmx-users] bonds braking

2012-10-15 Thread Eduardo Oliveira
Hi, I'm having trouble simulating a protein kinase on water. During the simulation, the molecule moves towards the box limits and some residues apear on the other side. Almost like they are interacting with water molecules on different sides of the box. I'm on my third simulation and the proble