[gmx-users] how can we restrain ion position?

Hello: I am just wondering how can we restrain the ion positon? Shall we use genrestr command? thx Albert -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Supp

[gmx-users] undefined symbol: TMPI_BYTE

Dear gmx users, Following error pops up when I try to run mdrun (v4.6.6) $ mdrun_466 -h mdrun_466: symbol lookup error: mdrun_466: undefined symbol: TMPI_BYTE Can anyone suggest me the workaround to this? I have compiled the gmx 466 using following commands: CMAKE_PREFIX_PATH=$apps/fftw/3.3.3/s

Re: [gmx-users] Problem Compiling mdrun parallel version for GROMACS 4.5.6

By the way, have you tried gromacs 4.6.7? I think that only needs a c compiler. Or 5.0.1 ? On Fri, Sep 12, 2014 at 8:38 PM, Johnny Lu wrote: > Hi. > > google "undefined reference to `_intel_fast_memset'" > gives: > > https://software.intel.com/en-us/forums/topic/310493 > > > are you using intel

[gmx-users] PBC problem in bilayer system

Dear Justin you said " The -trans option takes a vector where you specify the amount of translation to apply " I do not know what vector should be considered in -trans option. please guide me to solve this problem as soon as possible. Best, -- Gromacs Users mailing list * Please search the