Hi Ricardo, Please give your exact command lines and the error you're refering to. The way it is now, you provide too little information for us to assess the origin of your problem.
Cheers, Tsjerk On Tue, Sep 2, 2008 at 8:53 PM, Ricardo Soares <[EMAIL PROTECTED]> wrote: > Hello everyone, > > I perform a simulation at 300K, then after 50 ns, I took the final structure > and performed another one, but now at 274K. How can I compare this second > trajectory's RMSD with the initial structure from the first simulation > (300K)? > If I compare with the first tpr file or the initial pdb file, I get an > error. If I compare with the second simulation's tpr file, it is done, but > the comparison is not with the T=0. > Any ideas? > > 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 list [email protected] > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] 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
