nitu sharma wrote:
Dear All,
I have successfully installed gromacs -4.0.3 on
my linux fedora core-8 i686 32 bit computer but I was not able to
source the GMXRC script because in my system only "bash shell" is
active so I want to know is C-shell must needed to run gromacs
successfully?
No. Any common shell should be able to source GMXRC - that's what it is
designed for.
Because I am facing one problem i.e .gro file doesn't
created when i put the command to create .gro and .top file
.the .top file and topol .top file is created but .gro file cant be
created , the command line and output is like this-
This problem has nothing to do with GMXRC, or writing a .gro file. As
Justin said, your protein is missing some key atoms, and GROMACS is only
able to rebuild atoms for you in a few cases. For general stuff, you'll
need more general software.
Mark
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