Dear all, I am new to the gromacs simulation package. Thus far I have been using Charmm and NAMD, but now I am interested on testing Marrink's Coarse-Grained Martini FF. I managed to setup an initial configuration for a protein in a water box. After a few minimization steps, I ran the simulation for about 10 ns until it crashed with a Segmentation fault message. Using tpbconv, I resumed the simulation from 10200 ps step. Nevertheless I systematically found a segmentation fault error on step 6530. Using mdrun -nocompact gives no additional information about the crash. When I use mdrun -debug the simulation is able to run without any problem (until I run out of disk space). I found the same error to occur on both a Pentium IV (debian etch) and an Intel Core 2 Duo (Debian lenny). Both systems are running gromacs 3.3.3 from Debian testing packages. If anyone is interested on reproducing the error on their own computer, I can send them the tpr file (476K compressed). Best regards Cesar Avila Universidad Nacional de Tucuman.
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