16 nov 2012 kl. 22.42 skrev Justin Lemkul: > > > On 11/16/12 10:45 AM, Gmx QA wrote: >> Hello gmx-users, >> >> I've performed a pulling simulation and obtained a force-vs-time plot and a >> distance-vs-time plot (xvg-files). >> Is it common to somehow combine these to get a force-vs-distance-plot using >> a hacked-together script, or how do people that have experience with >> pulling generally make such a plot? I have read a bunch of papers where >> such figures are presented, but there does not seem to be any built-in way >> in gromacs to make them. I could be wrong, of course. >> > > The only solution is to write a simple script that parses out the columns you > want. > > -Justin
I don't see the point though. Except for checking implementation of the pull code. ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 [email protected] http://www2.icm.uu.se/molbio/elflab/index.html -- 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
