[gmx-users] help about Inconsistent DD boundary staggering limits

2012-04-26 Thread Desheng Zheng
Hi Guys, I have done the simulation. The total steps is 500. At around 90 steps, the error information appear like the followings. Please give me some suggestions to fix it. Best wishes, Desheng -- Program mdrun, VERSION 4.5.5

Re: [gmx-users] help about Inconsistent DD boundary staggering limits

2012-04-26 Thread Justin A. Lemkul
On 4/26/12 2:52 PM, Desheng Zheng wrote: Hi Guys, I have done the simulation. The total steps is 500. At around 90 steps, the error information appear like the followings. Please give me some suggestions to fix it. Based on the comment that precedes the error call in the code:

Re: [gmx-users] help about Inconsistent DD boundary staggering limits

2012-04-26 Thread Justin A. Lemkul
On 4/26/12 3:30 PM, Desheng Zheng wrote: Thanks Justin! about the Software inconsistency error: Inconsistent DD boundary staggering limits! I still have three concerts. 1. Is it ok, if i use grompp to generate the edr file in gromacs 4.5.5 environmentwith the gro file and top file which

RE: [gmx-users] help about Inconsistent DD boundary staggering limits

2012-04-26 Thread Desheng Zheng
] help about Inconsistent DD boundary staggering limits On 4/26/12 2:52 PM, Desheng Zheng wrote: Hi Guys, I have done the simulation. The total steps is 500. At around 90 steps, the error information appear like the followings. Please give me some suggestions to fix