[gmx-users] problem regarding installation of gromacs-4.5.5

Nidhi Jatana nidhijatana at bic-svc.ac.in
Fri Jun 15 13:37:17 CEST 2012

Dear Sir/Madam
This is Nidhi Jatana. I downloaded the lastest version of gromacs i.e.
4.5.5 from the link (ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5.5.tar.gz)
and have installed it but whenever I am trying to run any of the programs,
its showing me the version to be 4.0.5. For example, I was trying to run
the lysozyme tutorial and while running genion i gave in the command:

genion -s ions.tpr -o 1AKI_solv_ions.gro -p topol.top -pname NA -nname CL
-nn 8

and getting this as the output (not posted the entire output)

                         ":-)  G  R  O  M  A  C  S  (-:

           Glycine aRginine prOline Methionine Alanine Cystine Serine

                            :-)  VERSION 4.0.5  (-:"

I have installed it thrice, but the problem persists. Infact, I am getting
an error (Fatal error: No such moleculetype NA) while running minimization.
And when I saw the user-mailing lists, it shows me that there is some
problem with the version. What should I do? Should I install the previous

Thanking you

Nidhi Jatana
Senior Research Fellow
Bioinformatics Center
Sri Venkateswara College
(University of Delhi)
Dhaula Kuan
New Delhi-110021.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120615/9c88e020/attachment.html>

More information about the gromacs.org_gmx-users mailing list