[gmx-users] Regarding the broken compiler gcc 4.1.x

2009-05-14 Thread rashmi_chem
Dear gmxusers, The warning on the GROMACS download page says : WARNING: do not use the gcc 4.1.x set of compilers. They are broken. These compilers come with recent Linux distrubutions like Fedora 5/6 etc. So I installed CentOS 4.3 with gcc 3.4.5 and Fedora 10 with gcc 4.3.2 on two different ma

[gmx-users] How g_energy program calculates the averages ?

2009-03-04 Thread rashmi_chem
Dear gmx users, I am running a NPT simulation of Galactose in water for 10ns using united atom force field on gromacs 3.3.1. The mdp parameters used are: dt = 0.002 nstcomm = 1 nsteps = 500 ; 10 ns (run control) nstxout = 10

[gmx-users] Where to find the debugged versions of gromacs ?

2008-11-17 Thread rashmi_chem
Hi, I use Gromacs for protein folding studies. I was going through the existing bugs listed for different versions of gromacs in bugzilla, and found that many have been resolved. My question is where do i find these bug resolved Gromacs versions? For example in version 3.3.3, there is a bug listed