Re: [gmx-users] RE: xmgrace
bharat gupta wrote: Hi all, I have recently started working with GROMACS , and I am not able to find xmgrace in GROMACS folder . Do I have to download the file separately ?? Yes, it is a separate program. Search Google. -Justin Thanks -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] RE: xmgrace
Thanks sir But there is one problem that when I am running the mdrun step of 5th step of lysozyme tutorial, I am getting an error :- Can not open file: topol.tpr Can u tell me how to rectify it .. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] RE: xmgrace
bharat gupta wrote: Thanks sir But there is one problem that when I am running the mdrun step of 5th step of lysozyme tutorial, I am getting an error :- Can not open file: topol.tpr Can u tell me how to rectify it .. No, since you haven't provided the command line you're using or what the tutorial is expecting you to do. If this is unrelated to your original post, please start a new thread so the archive doesn't get confusing. -Justin -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] RE: xmgrace
mdrun -s topol.tpr BTW: take a look at "mdrun -h " bharat gupta wrote: > Thanks sir > > But there is one problem that when I am running the mdrun step of 5th > step of lysozyme tutorial, I am getting an error :- > > Can not open file: > topol.tpr > > Can u tell me how to rectify it .. > -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] RE: xmgrace
Baofu Qiao wrote: mdrun -s topol.tpr I think that is exactly the problem. Either "mdrun -s topol.tpr" or simply "mdrun" is being invoked (to use default I/O names), but topol.tpr does not exist, so mdrun fails. Hence why it is important to always include the command line you're using when asking for help :) -Justin BTW: take a look at "mdrun -h " bharat gupta wrote: Thanks sir But there is one problem that when I am running the mdrun step of 5th step of lysozyme tutorial, I am getting an error :- Can not open file: topol.tpr Can u tell me how to rectify it .. -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
