Hi Ramya, don't forger to search the archive at http://www.gromacs.org/search before posting. As David said, it looks like that old genion+ gcc4.series compiler problem. (I also had it) Try compiling with Intel, gcc-3,gcc-2.96. Have a nice day.
On 6/6/07, David van der Spoel <[EMAIL PROTECTED]> wrote:
C.RAMYA wrote: > Hello, > > I am facing a problem while trying to neutralize my molecule. > My molecule is a protein and after writing input file[.tpr] on seeing a > charge of 6.00000e+ i am trying to neutralize it by using 6 CL- ions. when > i have tried 'genion' for small molecules it was running fine,but for this > molecule it has been running since 2 days. > The only message being shown is that only 1 CL- has been introduced.Can > you please help me out with the necessary steps needed. > I am actually new to Gromacs,so please help me get through and if possible > suggest some good material. > sounds like a compiler problem that has been fixed. what OS and copiler are you using? -- David. ________________________________________________________________________ David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
-- Diego Enry B. Gomes Laboratório de Modelagem e Dinamica Molecular Universidade Federal do Rio de Janeiro - Brasil. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
