<p>when I use the following command ,there always a error message.Can you
help me ? Thank you very much !</p><p>command: <font color="#ff0000">grompp -f
em.mdp -c trp_b4em.gro -p trp.top -o trp_em.tpr</font><br
/>
</p><p>error message:<br /> .<br /> .<br />creating
statusfile for 1 node...<br />Back Off! I just backed up mdout.mdp to
./#mdout.mdp.1#<br />checking input for internal consistency...<br />calling
/usr/bin/cpp...<br />processing topology...<br />Generated 279 of the 1225
non-bonded parameter combinations<br />Excluding 3 bonded neighbours for
Protein 1<br />Excluding 3 bonded neighbours for IN4 1<br />Excluding 2 bonded
neighbours for SOL 4145<br />Cleaning up temporary file gromppD2IkOr<br
/>-------------------------------------------------------<br />Program grompp,
VERSION 3.3<br />Source code file: toppush.c, line: 1264<br />Fatal error:<br
/>No such moleculetype Cl<br
/>-------------------------------------------------------</p><p> </p><p>enviroment:</p><p><br
/>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<br
/>extra information:<br /> OS: Red Hat Linux
AS4<br /> fftw: fftw-3.1.2.tar.tar<br />gromacs:
gromacs-3.3.tar.gz</p><p>installation :<br />1.fftw<br />./configure
--enable-float<br />make<br />make install <br />2. gromacs<br
/>./configure
CPPFLAGS="-I/gromacs/gromacs-3.3/include"
LDFLAGS="-L/gromacs/fftw-3.1.2/libbench2" <br />make <br />make
install<br
/>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++</p>
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