[gmx-users] the problem of gromacs

After I type :"mdrun -s pr.tpr -o pr.trr -c b4md.gro -g pr.log -e pr.edr & ",then there are a error:Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210] I do not know what is " ci " meaning for and where is the problem? thank you ! -- gmx-users mailing listgmx-users@grom

[gmx-users] Fatal error: ci = -1 should be in 0

Hi ,I compiled gromacs without any error (or so I think) over Mandrake 9.0. When I run the demo added to gromacs I got the error message: Fatal error: ci = -1 should be in 0 .. 1[FILE nsgrid.c, LINE 210] from the mdrun program, does someone knows how to overcome it? -- gmx-users mailing l

[gmx-users] mdrun the pr.trr

when i type this order :szrun 2 2 mdrun_mpi -nice 0 -v -s pr.tpr -o pr.trr -c b4md.pdb -g pr.log -e pr.edr & the process can not run,and there is a problem that t = 0.000 ps: Water molecule starting at atom 90777 can not be settled. Check for bad contacts and/or reduce the timestep.Wrote pdb f