Hi Vaibhav, > What I meant is that it showed "bash: babel: command not found" > But when I installed not as root then its working.
so it seems as if the directory, wo which babel and obabel are installed, is not in your PATH environment variable (which contains all the directories that are being searched whenever you execute a command in bash, for example). So just add the directory to the PATH variable and the directory that contains the openbabel libraries to the LD_LIBRARY_PATH variable. > Can you please suggest me on the following also? > I want to get the last optimized geom from GAMESS output, but when I use > the following command > babel -igamin xyz.out -ogamin xyz-1.inp I would suggest using -igamout when converting GAMESS output. > I get the first geometry not the last optimized one. > babel -H doesn't say anything on that. If you already know that, say, the last geometry is number 22, then you can run "babel -igamin xyz.out -ogamin xyz-1.inp -f 22 -l 22". At least that's what openbabel suggested when I tried to convert an xyz-trajectory to the gamin format. I don't know whether there is a way to get the last geometry without knowing its index. Best, Torsten On Mon, 25 Apr 2016, openbabel-discuss-requ...@lists.sourceforge.net wrote: > Hi Pascal and all, > I have given the following response to suggestions by Fredrik and others. > I think there is a delay in my responses getting accepted and viewed by > members of the group. > Not sure why, this should happen? > thanks for your suggestions. > Vaibhav?? > > Hi Fredrik and all, > What I meant is that it showed "bash: babel: command not found" > But when I installed not as root then its working. > Can you please suggest me on the following also? > I want to get the last optimized geom from GAMESS output, but when I use > the following command > babel -igamin xyz.out -ogamin xyz-1.inp > > I get the first geometry not the last optimized one. > babel -H doesn't say anything on that. > Any suggestion is highly appreciated. > thank you ------------------------------------------------------------------------------ Find and fix application performance issues faster with Applications Manager Applications Manager provides deep performance insights into multiple tiers of your business applications. It resolves application problems quickly and reduces your MTTR. Get your free trial! https://ad.doubleclick.net/ddm/clk/302982198;130105516;z _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
