Thanks Oliver ! On Tue, Jun 9, 2015 at 7:24 PM, Oliver Stueker <ostue...@gmail.com> wrote:
> Hello Sahithya, > > the xdrfile library is only one of many ways to write your own code > trajectory analysis. > > Other options are: > > - Use share/gromacs/template/template.cpp ( template.c for Gromacs > before 5.0) to write your own analysis tool in C++ (or C). > - Use one of the following Python packages to write your analysis tool > in Python: > - pmx (formerly pymacs) https://code.google.com/p/pmx/ > - MDAnalysis http://www.mdanalysis.org/ > - MDTraj http://mdtraj.org/latest/ > - I believe one can also write plugins for VMD (in tcl or python) > > Cheers, > Oliver > > On Tue, Jun 9, 2015 at 3:33 AM, Sahithya S Iyer <sah2...@gmail.com> wrote: > > > Thanks for the link Eric ! > > > > I am unable to open the following link though - > > ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz > > > > > > > > On Tue, Jun 9, 2015 at 9:31 AM, Eric Smoll <ericsm...@gmail.com> wrote: > > > > > > > > > Hello Sahithya, > > > > > > Here is one solution: > > > http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library > > > > > > Best, > > > Eric > > > > > > On Mon, Jun 8, 2015 at 9:56 PM, Sahithya S Iyer <sah2...@gmail.com> > > wrote: > > > > > > > Dear users, > > > > > > > > If one wanted to analyze the trajectory obtained on production run > for > > a > > > > property of the protein that is not already defined in the gromacs > > > > programs, which file should be used for analysis ? > > > > > > > > If one were to write an external code to analyze this property, .trr, > > > .tpr, > > > > .xtc files cannot be used as they are binary files. How then can the > > > > trajectory be analyzed ? > > > > > > > > Thanks for your time > > > > -- > > > > 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. > > > > > > > > > > -- > > Sahithya S Iyer > > -- > > 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. > -- Sahithya S Iyer -- 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.