Dear gmx users,
Recently I've been trying to install GROMACS 2020.1. However, I encounter a
compilation error while using the make command. The error is as follows:
*/usr/bin/ld: cannot find /lib/libpthread.so.0/usr/bin/ld: cannot find
/usr/lib/libpthread_nonshared.acollect2: error: ld returne
Dear gmx users,
Recently I've been trying to install GROMACS 20201. After successfully
compilng GROMACS 2020.1, when executing make check command, I
encountered the following error. Specifically, one out of 56 tests failed,
which was related to Mdrun Test.WritesHelp. Looking at the error message,
I
variant, and
> this is no longer the case once you modify the code for plumed.
>
> You can ignore this failure in this case, but please mention in the
> future if you are using modified versions of the code.
>
> Cheers
>
> Paul
>
> On 05/04/2020 21:23, Wei-Tse Hsu wrote:
Dear gmx users,
I prepared a topology using Open Forcefiled for my system. To make GROMACS
able to recognize the water molecules and the ions to be added, I need to
include itp files (such as tip3p.itp, spc.itp, ions.itp, etc.) in my
topology file (.top file). I was planning to use GROMOS54a7 with
t have to get it from the force field. Instead you have
> to
> > add this itp file to the defined topology file you are giving.
>
> GROMOS force fields were parametrized for use with SPC. As far as I
> know, no one has demonstrated that the use of TIP3P with GROMOS is valid.
&g
