I am trying to use the XTC library in my code but I am just not good at this
stuff.
http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
I installed using
./configure --prefix=/$HOME/apps/xdrfile
make install
everything seemed to go well and the make check said everything passed.
ut it.
But, I guess it still isnt seeing the library.
Also, I tried compiling after appending the LIBDIR to my LD_LIBRARY_PATH and
LD_RUN_PATH, neither worked.
Message: 1
Date: Fri, 6 May 2011 22:31:23 -0500
From: "Ryan S Davis (rsdavis1)"
Subject: [gmx-users] Using t
I wanted to copy a bilayer into a grid of 2x2x1 replicas. I used genconf and
everything seemed to work fine exept that annoying feature
that the command does not reorder the molecule types, so I end up with a .top
file looking like this...
1 #include "martini_v2.1.itp"
2 #include "martini_v2
Justin A. Lemkul wrote:
>
>
> Ryan S Davis (rsdavis1) wrote:
>> I wanted to copy a bilayer into a grid of 2x2x1 replicas. I used
>> genconf and everything seemed to work fine exept that annoying feature
>> that the command does not reorder the molecule types, so I
I am trying to install gromacs with MPI enabled on a cluster but it seems like
fftw is giving me trouble.
First, I compile everything without MPI just fine. FFTW is already on the
cluster. I export pertinent variables...
export CPPFLAGS=-I/opt/fftw/3.2.1/include
export LDFLAGS=-L/opt/fftw/3.2.
5 matches
Mail list logo