Re: [gmx-users] mpi.h is missing...

2008-05-11 Thread Jussi Lehtola
On Mon, 2008-05-12 at 13:43 +0700, Dmitri Dubov wrote: > Dear GMX users, > > > Sorry for my stupid question, but unfortunately I'am very poor > programmer... > > Earlier I have installed gromacs 3.3.3 under SUSE Linux 10.3 both in > single and in double precision mode. Both versions work well.

[gmx-users] mpi.h is missing...

2008-05-11 Thread Dmitri Dubov
Dear GMX users, Sorry for my stupid question, but unfortunately I'am very poor programmer... Earlier I have installed gromacs 3.3.3 under SUSE Linux 10.3 both in single and in double precision mode. Both versions work well. Now I try to add MPI version of mdrun (useful for my Dual Core Intel mac

Re: [gmx-users] Melting temperature of the potato, a bug in grompp?

2008-05-11 Thread Tsjerk Wassenaar
Hi Xavier, Have you checked the genome and made sure your potato did not suffer from any infection? This will have a significant effect on the melting temperature. Maybe it helps if you link an image of the potato at the end of the simulation. Tsjerk On Sun, May 11, 2008 at 12:23 AM, Xavier Peri