Re: [gmx-users] Concatenate TPR files after restart
There is no need to concatenate .tpr files; they contain structure and parameter information, and thus is does not make sense to add them together. To analyze the whole trajectory, supply g_hbond the starting .tpr file along with your trajectory file. -Justin -- Ok Justin, I didn't know that the tpr files contain only structure and parameter information. That really wouldn't make sense to merge both. Well, thanks! -- ___ Ricardo Oliveira dos Santos Soares Post-graduation Student in Biological Physics University of Sao Paulo - USP Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP Phone: 55 (16) 3602-4840 Curriculum Lattes - http://lattes.cnpq.br/0777038258459931 ___ ___ gmx-users mailing listgmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] Concatenate TPR files after restart
Quoting Ricardo Soares <[EMAIL PROTECTED]>: > Hello everyone, > > I've extended one previously finished simulation from 5 ns to 10 ns. Now > I have two tpr files. How can I merge both of them in only one file? > I'm asking this because I need to use g_hbond and I wanna analyze the > whole trajectory. There is no need to concatenate .tpr files; they contain structure and parameter information, and thus is does not make sense to add them together. To analyze the whole trajectory, supply g_hbond the starting .tpr file along with your trajectory file. -Justin > > Best regardings. > > -- > ___ > > Ricardo Oliveira dos Santos Soares > Post-graduation Student in Biological Physics > University of Sao Paulo - USP > Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP > Phone: 55 (16) 3602-4840 > Curriculum Lattes - http://lattes.cnpq.br/0777038258459931 > ___ > > ___ > gmx-users mailing listgmx-users@gromacs.org > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ___ gmx-users mailing listgmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] Concatenate TPR files after restart
Hello everyone, I've extended one previously finished simulation from 5 ns to 10 ns. Now I have two tpr files. How can I merge both of them in only one file? I'm asking this because I need to use g_hbond and I wanna analyze the whole trajectory. Best regardings. -- ___ Ricardo Oliveira dos Santos Soares Post-graduation Student in Biological Physics University of Sao Paulo - USP Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP Phone: 55 (16) 3602-4840 Curriculum Lattes - http://lattes.cnpq.br/0777038258459931 ___ ___ gmx-users mailing listgmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
