Justin, I just ran this calculations on "VERSION 4.6-GPU-dev-20120501-ec56c" and I will let you know about the outcomes.
Rasoul On Thu, Jul 18, 2013 at 1:09 PM, Rasoul Nasiri <nasiri1...@gmail.com> wrote: > Bellow are commands and error message: > > 1- trjconv_d -f traj.xtc -n maxclust.ndx -o traj_out.xtc > > 2- g_sas_d -f traj_out.xtc -n maxclust.ndx -o surface.xvg -nopbc > > > glibc detected *** g_sas_d: malloc(): memory corruption: > 0x00000000016dfcd0 > > > Rasoul > > > On Thu, Jul 18, 2013 at 1:01 PM, Justin Lemkul <jalem...@vt.edu> wrote: > >> >> >> On 7/18/13 6:52 AM, Rasoul Nasiri wrote: >> >>> Hello all, >>> >>> I'm trying to know how the surface area of a nano-drop changes during the >>> evaporation in the vacuum. >>> >>> When I filter the trajectory of non-evaporated molecules by trjconv and >>> use >>> g_sas for calculation of their surface, it usually crash (I'm using >>> version >>> of 4.5.5). >>> >>> >> What's the error message? What's your command? >> >> >> Is there still this issue in the 4.6.*? How it can be resolved? >>> >>> >> Have you tried version 4.6? That's the quickest way to know. If there >> are still problems, you'll need to provide more information. >> >> -Justin >> >> -- >> ==============================**==================== >> >> Justin A. Lemkul, Ph.D. >> Postdoctoral Fellow >> >> Department of Pharmaceutical Sciences >> School of Pharmacy >> Health Sciences Facility II, Room 601 >> University of Maryland, Baltimore >> 20 Penn St. >> Baltimore, MD 21201 >> >> jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu>| >> (410) 706-7441 >> >> ==============================**==================== >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> >> * Please search the archive at http://www.gromacs.org/** >> Support/Mailing_Lists/Search<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 gmx-users-requ...@gromacs.org. >> * Can't post? Read >> http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >> > > -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
