Re: [gmx-users] MD problem with nwall=2

2012-09-07 Thread Peter C. Lai
On 2012-09-06 02:46:21PM +0200, Bogdan Costescu wrote: On Wed, Sep 5, 2012 at 8:37 PM, Peter C. Lai p...@uab.edu wrote: Could be a result of not setting x/y compressibility = 0 as the manual suggests you should do... As one who has also tried to use walls recently, I've also found this

Re: [gmx-users] MD problem with nwall=2

2012-09-06 Thread Bogdan Costescu
On Wed, Sep 5, 2012 at 8:37 PM, Peter C. Lai p...@uab.edu wrote: Could be a result of not setting x/y compressibility = 0 as the manual suggests you should do... As one who has also tried to use walls recently, I've also found this statement in the manual, but no further explanation. Anyone

[gmx-users] MD problem with nwall=2

2012-09-05 Thread 김현식
Dear Experts Hello. I have tried to run md simulation with wall option, which included nwall=2. However, there have been some problems. Always, the running is down with no error message or a message like below. ---Program mdrun_mpi_d,

Re: [gmx-users] MD problem with nwall=2

2012-09-05 Thread Peter C. Lai
Could be a result of not setting x/y compressibility = 0 as the manual suggests you should do... On 2012-09-05 11:28:30AM +, 김현식 wrote: Dear Experts Hello. I have tried to run md simulation with wall option, which included nwall=2. However, there have been some problems. Always, the