On Mon, Nov 22, 2010 at 2:55 PM, Sanku M <msank...@yahoo.com> wrote: > Hi, > > When using gromacs 4.5.3, I experienced two problems ( neither of which > exist in gromacs 4.0.7 or older version like 3.3.3) > 1. when issuing grompp command to start one of my simulations, gromacs > 4.5.3 gives me fatal error: > 'can not find atom type SNa .' > However, with gromacs 4.0.7 and gromacs 3.3.3, for the same simulation , > grompp runs smoothly ( as atom type SNa indeed exist in my directory). > I am not sure what is wrong with grompp in gromacs 4.5.3 >
The folder layout for the input files has changed. Make sure you have the files in the correct location for 4.5.3. > > 2. when using g_density command , after processing data , gromacs 4.5.3 > gives an error : > *** glibc detected *** double free or corruption (out): 0x00000000006d8ce0 > *** > Aborted > > But, the same g_density with gromacs 4.0.7 and gromacs 3.3.3 works > smoothly. > That seems to be a problem in g_density. Please open a bug on bugzilla.gromacs.org with enough detail to reproduce the error. Roland > > Any idea will be appreciated . > Sanku > > > -- > 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 > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309
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