Re: [gmx-users] Box vector error

2009-10-21 Thread Mark Abraham
I tried to restart simulation, going back, from the time point where there was no substantial change in the dimensions of the box, but simulations aborts again after some time with the same error. The time points at which simulation aborts are random. Having simulated for 25ns now i do not want t

Re: [gmx-users] Box vector error

2009-10-21 Thread Tsjerk Wassenaar
Hi Prem, There is just something terribly wrong with your system if it goes flat like that. But with only the information you give here, no one can tell you more than that. Cheers, Tsjerk On Wed, Oct 21, 2009 at 10:18 AM, Prem Singh Kaushal wrote: > Dear All > >     I am using GROMCS 3.3.1 ver

[gmx-users] Box vector error

2009-10-21 Thread Prem Singh Kaushal
Dear All I am using GROMCS 3.3.1 version. I had started the simulation of protein in water with an octahedral box of dimension 9.76276 9.20449 7.97128 0.0 0.0 3.25425 0.0 -3.25425 4.60225. However after 25ns the simulation aborts with the following error: Fatal erro