Re: [gmx-users] secondary structure analyze

2013-01-01 Thread Parisa Rahmani
/home/parisa/parisa/share/**gromacs/top/ss.map ) for some reasons I use gromacs 3.3.3. On Tue, Jan 1, 2013 at 10:39 PM, Justin Lemkul wrote: > > > On 1/1/13 2:06 PM, Parisa Rahmani wrote: > >> Hi gmx users >> >> I want to do secondary structure analyze for my

Re: [gmx-users] mpirun error

2012-11-20 Thread Parisa Rahmani
: > > > On 11/20/12 8:43 AM, Parisa Rahmani wrote: > >> Thanks for your reply. >> I have also tried installing with _mpi suffix >> Here is the output of ldd: >> >> gromacs3.3/bin$ ldd mdrun_mpi >> linux-vdso.so.1 => (0x7fff4658c000) &g

Re: [gmx-users] mpirun error

2012-11-20 Thread Parisa Rahmani
at gromacs has been compiled with mpich. On Tue, Nov 20, 2012 at 4:15 AM, Justin Lemkul wrote: > > > On 11/19/12 12:09 PM, Parisa Rahmani wrote: > >> Dear gmx users >> >> I have a problem with running parallel jobs on my Debian system(Openmpi >> installed