Re: [gmx-users] gmx conver-tpr error
Dear Dr. Justin, Thank you very much for the reply. I'm sure, I used -extend for the gmx convert-tpr. How can I solve this problem? Appreciate, if you could help me. Thank you. On Wed, May 30, 2018 at 9:51 PM, Justin Lemkul wrote: > > > On 5/30/18 5:51 AM, Amali Guruge wrote: > >> Dear Gromacs users, >> >> I did a simulation for a 50 ns and I want to extend it by anther 50 ns. >> Therefore, I used the command, >> gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr >> But I got the error, 'You've simulated long enough. Not writing tpr file.' >> >> How can I solve the problem? >> > > Are you sure that was your exact command? You didn't accidentally type > "-until" rather than "-extend" in your command? Any use of -extend > shouldn't trigger that error, but -until would do exactly that in this > instance. > > -Justin > > -- > == > > Justin A. Lemkul, Ph.D. > Assistant Professor > Virginia Tech Department of Biochemistry > > 303 Engel Hall > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > == > > > -- > 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. > -- 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] gmx conver-tpr error
On 5/30/18 5:51 AM, Amali Guruge wrote: Dear Gromacs users, I did a simulation for a 50 ns and I want to extend it by anther 50 ns. Therefore, I used the command, gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr But I got the error, 'You've simulated long enough. Not writing tpr file.' How can I solve the problem? Are you sure that was your exact command? You didn't accidentally type "-until" rather than "-extend" in your command? Any use of -extend shouldn't trigger that error, but -until would do exactly that in this instance. -Justin -- == Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.thelemkullab.com == -- 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] gmx conver-tpr error
tpbconv -s md.tpr -o md_new.tpr -extend 5 On Wed, 30 May 2018, 3:22 pm Amali Guruge, wrote: > Dear Gromacs users, > > I did a simulation for a 50 ns and I want to extend it by anther 50 ns. > Therefore, I used the command, > gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr > But I got the error, 'You've simulated long enough. Not writing tpr file.' > > How can I solve the problem? > > Thank you. > > > > > -- > 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. > -- 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] gmx conver-tpr error
Dear Gromacs users, I did a simulation for a 50 ns and I want to extend it by anther 50 ns. Therefore, I used the command, gmx convert-tpr -s run01.tpr -extend 5 -o run02.tpr But I got the error, 'You've simulated long enough. Not writing tpr file.' How can I solve the problem? Thank you. -- 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.
