[gmx-users] g_potential problem

Dear Gmxers:   In my simulation, I applied a uniform electric field across the whole system, and I used g_potential -f full -s full -o -sl 200 to observe the voltage drop along z direction.   I am confused with the voltage distribution. What time is it referred to? Or, it is an average over

[gmx-users] Local electric field after enerygrp_exl

Dear users:   If I excluded the interactions between two groups through defining "energygrp_excl=Group1 Group2" in mdp file, I am sure no interactions between them during simulation. However, how about the local electric field between these two groups? Is it still existing?   Thanks     Xie

[gmx-users] Gradient electric field in GMX?

Dear Dr. David:     > Dear Gmxers:>  > Is it possible to apply a gradient electric field in GMX, which is a > function of space? For example, field strength> in the left side of simulation box is set to zero, which gradually > changes to 1 V/nm in the right edge of box.>  > If yes, how to co

[gmx-users] Gradient electric field in GMX?

Dear Gmxers:   Is it possible to apply a gradient electric field in GMX, which is a function of space? For example, field strength in the left side of simulation box is set to zero, which gradually changes to 1 V/nm in the right edge of box.   If yes, how to compile the source code? Thanks.

[gmx-users] How many boundary conditions in GMX?

comparison with the results under pbc.     Thanks and regards, Xie Yinghong HongKong Univ. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Us

[gmx-users] Re: Gromacs3.3 Compilation on IBM powerpc

Dear Erik:   The last error is just "configure:6705: error: cannot compute sizeof (int), 77"     Xie Yinghong     > Find the _last_ error in config.log, and check what the compiler said  > about it.> Cheers,> ErikOn Mar 14, 2006, at 2:11 AM, Yinghong wrote:> Dear

[gmx-users] Re: Gromacs3.3 Compilation on IBM powerpc

zeof (int | exit (1); | fprintf (f, "%lu\n", i); | } | exit (ferror (f) || fclose (f) != 0); | | ; | return 0; | } configure:6705: error: cannot compute sizeof (int), 77 See `config.log' for more details. Xie Yinghong >Hi, > >Check co

[gmx-users] Gromacs3.3 Compilation on IBM powerpc

... yeschecking for strings.h... yeschecking for inttypes.h... yeschecking for stdint.h... yeschecking for unistd.h... yeschecking for int... yeschecking size of int... configure: error: cannot compute sizeof (int), 77See `config.log' for more details.

[gmx-users] Re: Small V.S. Large simulation box.

on for the unsatisfield results. But how to deal with it? I have to beg your help. Thanks again. Xie Yinghong   > Yang Ye wrote: >> As being iterated for many times in this list, use of PME shall be only >> applicable to box of certain size, not too small. The default grid size >> for

[gmx-users] Small V.S. Large simulation box.

manual and in mailinglist.     Thanks.   Xie Yinghong Hong Kong University ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www inte