[gmx-users] More dihedral doubts

2007-07-29 Thread Jones de Andrade
Hi all again. Sorry for bothering all you with this dihedrals subject. Well, I'm trying this in my .itp file: ** [ dihedraltypes ] ; i j k l functphi (degree) cp (kJ/mol.rad^2) mult(n) CTCTNT

Re: [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet

2007-07-29 Thread Siavoush Dastmalchi
Dear Mr Jahanbakhsh, Hope that every thing is going okay with your works. While you are trying different avenues to increase the performance of the cluster (by the way what is the name of cluster?) I was wondering if you could kindly download the MODELLER program from the following site and in