Re: [gmx-users] Error in full MD
here is my log and mdp file. On Tue, Apr 17, 2018 at 3:22 PM, RAHUL SURESHwrote: > Hi > > Please add your log file as well as your mdp settings. > > On Tue, Apr 17, 2018 at 3:10 PM, ISHRAT JAHAN wrote: > > > Dear all, > > I am trying to do md simulation of protein in osmolyte. When I run the > full > > md, the simulation stops after 9 ps with lots of step.pdb file. No error > > appears in .log file but simulation stop. will anyone please tell me > what > > should I do as I am unable to understand the error. Also no error appears > > in energy minimization and equillibration steps. > > Thanks > > > > -- > > Ishrat Jahan > > Research Scholar > > Department Of Chemistry > > A.M.U Aligarh > > -- > > Gromacs Users mailing list > > > > * Please search the archive at http://www.gromacs.org/ > > Support/Mailing_Lists/GMX-Users_List before posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > > > > > > -- > *Regards,* > *Rahul Suresh* > *Research Scholar* > *Bharathiar University* > *Coimbatore* > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Ishrat Jahan Research Scholar Department Of Chemistry A.M.U Aligarh -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Error in full MD
Hi Please add your log file as well as your mdp settings. On Tue, Apr 17, 2018 at 3:10 PM, ISHRAT JAHANwrote: > Dear all, > I am trying to do md simulation of protein in osmolyte. When I run the full > md, the simulation stops after 9 ps with lots of step.pdb file. No error > appears in .log file but simulation stop. will anyone please tell me what > should I do as I am unable to understand the error. Also no error appears > in energy minimization and equillibration steps. > Thanks > > -- > Ishrat Jahan > Research Scholar > Department Of Chemistry > A.M.U Aligarh > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- *Regards,* *Rahul Suresh* *Research Scholar* *Bharathiar University* *Coimbatore* -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Error in full MD
Dear all, I am trying to do md simulation of protein in osmolyte. When I run the full md, the simulation stops after 9 ps with lots of step.pdb file. No error appears in .log file but simulation stop. will anyone please tell me what should I do as I am unable to understand the error. Also no error appears in energy minimization and equillibration steps. Thanks -- Ishrat Jahan Research Scholar Department Of Chemistry A.M.U Aligarh -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.