Re: [gmx-users] a new GROMACS simulation tool

Dear Kevin, I'm Gloria Saracino from the Center of Nanomedicine and Tissue Engineering of the Hospital of Niguarda Ca' Granda in Milan, Italy. I'm interested into knowing more about this new web based toolas I use MD everyday. Let me know what I have to do. Regards,

Re: [gmx-users] multiple molecules simulations

Thank you Tsjerk, this is encouraging for me! Gloria Da: Tsjerk Wassenaar A: Gloria Saracino ; Discussion list for GROMACS users Inviato: Venerdì 25 Novembre 2011 10:10 Oggetto: Re: [gmx-users] multiple molecules simulations Hi Gloria, It think it&#

Re: [gmx-users] multiple molecules simulations

Dear all, I did not get an answer yet. I really want know your opinion. If you need other details about the simulation I'm willing to give it to you. Thank you in advance, Gloria Da: Gloria Saracino A: "gmx-users@gromacs.org" Inviato: Giov

[gmx-users] multiple molecules simulations

Dear all, I have performed a simulation on eight identical peptides (composed by 11 residues) embedded in explicit water. Box dimensions (cube of 7.92nm) have been chosen to get a high concentration to accelerate the aggregation process. PME has been used and rvdw=rcoulomb=0.9. The trajectory

[gmx-users] bitinilated peptide

Hi everybody, I would like to submit a biotinilated peptide to MD with 53a6 force field. Do you know where I can look for the topology and parameters file? thank you in advance -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search