Re: [gmx-users] No DD grid found

2011-03-28 Thread André Ferreira
Dear all, Really appreciate the fast and very clear reply. Now I know how to overcome this issue. Best, André On 28-03-2011 13:25, Mark Abraham wrote: On 28/03/2011 10:37 PM, André Ferreira wrote: Dear all, I am having some problems with some molecules that I am currently simulating. I go

Re: [gmx-users] No DD grid found

2011-03-28 Thread Mark Abraham
On 28/03/2011 10:37 PM, André Ferreira wrote: Dear all, I am having some problems with some molecules that I am currently simulating. I got simulation box that is constituted by 100 oligomer molecules (190 atoms each), in a cubic box with 7 nm side (50K). Since the molecule is quite long I am

Re: [gmx-users] No DD grid found

2011-03-28 Thread Justin A. Lemkul
André Ferreira wrote: Dear all, I am having some problems with some molecules that I am currently simulating. I got simulation box that is constituted by 100 oligomer molecules (190 atoms each), in a cubic box with 7 nm side (50K). Since the molecule is quite long I am using a rcoulomb of 2

[gmx-users] No DD grid found

2011-03-28 Thread André Ferreira
Dear all, I am having some problems with some molecules that I am currently simulating. I got simulation box that is constituted by 100 oligomer molecules (190 atoms each), in a cubic box with 7 nm side (50K). Since the molecule is quite long I am using a rcoulomb of 2.8 nm and rvdw of 3.4 nm