Hi Sulatha, With my clustering algorithm there can be no infinite loop :) By the way, sorry for the error messages you ran into with compiling 4.0.7. It had escaped me that these changes were made after that version.
Cheers, Tsjerk On Fri, Jul 1, 2011 at 8:29 AM, sulatha M. S <[email protected]> wrote: > Thanks Mark, > I will do the analysis in 4.5.4. Hope while doing the micelle clustering I > will not get into a infinite loop as in 4.0.7. > If I understand correctly, While using trjconv -pbc cluster, I should use > -e 0.002 or the frames (-dump option) in the xtc file (generated after the > micelles are formed) > > Sulatha > > > 2011/7/1 Mark Abraham <[email protected]> >> >> On 1/07/2011 3:35 PM, sulatha M. S wrote: >>> >>> Hi Tsjerk, >>> >>> I installed gromacs myself. I put the modified gmx_trjconv.c code in the >>> /src/tools subdirectory where the source code is located and tried the >>> command >>> make trjconv >>> But it gives me a series of error messages, as given below. >> >> They're all mismatches because of changes between 4.0.7 and 4.5.4 >> >>> My gromacs version is 4.0.7. I would like to continue in this version >>> till I finish the set of runs which I have been doing before moving into >>> 4.5.4 version. or else can I do the analysis alone in gromacs 4.5.4 with the >>> xtc files generated from 4.0.7 version? >> >> Do that. The file formats are unchanged. >> >> Mark >> >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
