[gmx-users] Regarding Production MD error

Dear Users, I am running the final MD of my protein ligand complex in 16 processor node for 30ns in gromacs455 version. There, in 9th ns it stops and giving error message like given below. What could be the reason for this and how to rectify this error. Any help will be highly appreciated. Urs,

Re: [gmx-users] Regarding Production MD error

on the GROMACS website. Cheers, EB Sent from my iPhone On 19/08/2012, at 5:41 PM, kirubakaran palani kirubakara...@gmail.com wrote: Dear Users, I am running the final MD of my protein ligand complex in 16 processor node for 30ns in gromacs455 version. There, in 9th ns it stops and giving error

[gmx-users] Regarding error in ion neutralization step

Dear All Could any one help me to solve this error in gromacs 4.5.5 version. I am running dynamics on apo protein and the protein shows negative charge of -6 (after choosing OPLS-AA force filed) and when i was neutralizing the -6 with +6 and generating the genion.tpr file there it shows No such

[gmx-users] Regarding error in ion neutralization step

Dear All Could any one help me to solve this error in gromacs 4.5.5 version. I am running dynamics on apo protein and the protein shows negative charge of -6 (after choosing OPLS-AA force filed) and when i was neutralizing the -6 with +6 and generating the genion.tpr file there it shows No such