Re: [gmx-users] mdrun_mpi error Signal: Segmentation fault

Hi, I received a similar error during an equilibration by steepest descent in which I had posed constraints on water, leaving the protein free to move. I suggest to control your mdp file... maybe you did the same thing and the system collapsed or exploded (you can see that reading the log file: if

Re: [gmx-users] Re: topology file generation for a modeled structure

replace them. Hope it helps! Cheers, Annalisa --- Annalisa Bordogna - PhD. student Universita` degli Studi di Milano - Bicocca - Italy 2010/2/8, bharat gupta : > > Hi all, > > I have modelled a structure and I want

[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1)

o make grompp work? Thank you in advance, best regards, Annalisa ----- Annalisa Bordogna PhD. Student DISAT - Università degli Studi di Milano Bicocca Milano - Italy - ___ gmx-users mai

Re: [gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1)

1000 6 1 1000 1000 1000 7 1 1000 1000 1000 Since they are automatically generated by pdb2gmx, how can I fix the problem? Thank you very much. Annalisa - Annalisa Bordogna PhD. Student DISAT - Università degli Studi di

Re: [gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1)

Thank you VERY VERY VERY much, Justin! I've done what you said and... Now it works!! Cheers! Annalisa - Annalisa Bordogna PhD. Student DISAT - Università degli Studi di Milano Bicocca Milano -