<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"><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">Mon, December 27, 2010 at 5:02 AM</font><span style="font-family: times new roman,new york,times,serif;">, </span><font style="font-family: times new roman,new york,times,serif;" face="Tahoma" size="2">gromacs564 <gromacs564@126.com> wrote:</font><br>> Hi, Mark,<br>> Thanks for the reply.
<div>> You'are right,I forgot to enter the path.And my computer system is
Ubuntu 10.04.I want to use<br>> the glycam force filed, then I type the
command:</div>
<div>> <strong>software/topolbuild1_3/src/topolbuild -h</strong></div>
<div>> I got the correct "help information".</div>
<div>> But when I type this integral command:</div>
<div>> <strong>software/topolbuild1_3/src/topolbuild -n myt -dir software/topolbuild1_3/dat/leap/parm -ff glycam06_c </strong><strong>-r MAL -rename </strong></div>
<div>> <strong>----------------------------------------------------------------</strong></div>
<div>> it's error:<br>> <a rel="nofollow" target="_blank" href="mailto:****@ubuntu:%7E$">****@ubuntu:~$</a> software/topolbuild1_3/src/topolbuild -n myt -dir software/topolbuild1_3/dat/leap/parm -ff glycam06_c -r MAL -rename<br>> Fatal error.<br>> Source code file: atom_types.c, line: 87<br>> Cannot open file software/topolbuild1_3/src/dat/parm/dat/antechamber/ATOMTYPE_GLYCAM.DEF</div>
<div>> --------------------------------------------------------------------</div>
<div>> <br></div>
<div>> Do you know how to solve this problem ?</div>
<div>> Thanks for you reply!<br> <br>The problem is that you are giving the wrong directory after -dir<br>The -dir parameter entry is supposed to point to the directory that contains the dat<br>directory because it needs the atom types file as well as the leap parameters file<br>Try instead:<br> software/topolbuild1_3/src/topolbuild -n myt -dir software/topolbuild1_3 -ff glycam06_c -r MAL -rename<br><br>I hope this helps as well.<br><br><br></div>-- <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><div style="font-family: times new roman,new york,times,serif; font-size: 10pt;"><br></div>
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