<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:10pt"><p><span style="font-family: times new roman,new york,times,serif;">On </span><font style="font-family: times new roman,new york,times,serif;" face="Tahoma" size="2">Sun, December 26, 2010 at 6:07 AM, </font><font face="Tahoma" size="2"><span style="font-family: times new roman,new york,times,serif;">gromacs564 <gromacs564@126.com> wrote:</span><br></font></p><p>> I downloaded topolbuild1_3 from the GROMACS website,</p>
<p>> and I run the command as follows:</p>
<p>> ````````````````````````````````````````````</p>
<p>> "path: home/buct/topolbuild1_3 ”</p>
<p>> # tar -xvf topolbuild1_3.tgz</p>
<p>> #make -f Makefile ; (intel CPU) there were no any error messages.</p>
<p>> then I write "export PATH=$PATH:/home/buct/topolbuild1_3 " into etc/profile(root)</p>
<p>> ```````````````````````````````````````````</p>
<p>> But When I type "topolbuild -h" I get "command not found",and I don't know how to deal it.</p>
<p>> can anyone tell me to install the topolbuild1_3 correctly? </p><br>First, I hope that you mean that you changed directory to home/buct/topolbuild1_3/src<br>before giving the make command since Makefile is in src and not in the main directory<br>which means that giving the make command in any other directory should give an<br>error message. Second, the topolbuild binary will be in home/buct/topolbuild1_3/src<br>after the build, but the commands you give search home/buct/topolbuild1_3 for an<br>executable where there shouldn't be an executable. Third, the text files, in the main<br>directory, home/buct/topolbuild1_3 do include installation and use information.<br>Please see in particular INSTALLATION.txt and README.txt Fourth, the resulting<br>topology from topolbuild 1.* works with gromacs 3.3.3 and gromacs 4.0.*, but the<br>rearrangement of the force field files with gromacs 4.5.* means that the include file<br>lines
for such a topology will need minor editing with a text editor to be usable with<br>gromacs 4.5.* One example of such editing has been posted. The 2.0 version of<br>topolbuild will be designed for gromacs 4.5.*.<br><br><br>I hope this helps you.<br><br>Sincerely,<br><br>-- <br>Bruce D. Ray, Ph.D.<br>Associate Scientist<br>IUPUI<br>Physics Dept.<br>402 N. Blackford St.<br>Indianapolis, IN 46202-3273<div><br></div>
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