<P>
hi,<BR>
I am trying to run gromacs using charmm force field.<BR>
I run the perl program convert_charmm_to_gromacs.pl on the charmm force field input <BR>
file.<BR>
the following 2 files were generated <BR>
ffcharmmbon.itp<BR>
ffcharmmnb.itp<BR>
these were added to "/usr/local/gromacs/share/gromacs/top" and GMXLIB path was set as<BR>
"export GMXLIB=/usr/local/gromacs/share/gromacs/top"<BR>
<BR>
the 'pdb2gmx' command was run using the command:<BR>
"pdb2gmx -f 1aoc-PPF.pdb -ff charmm -ignh -ter"<BR>
but the following error message is coming<BR>
"Library file ffcharmm.rtp not found in current dir nor in your GMXLIB path."<BR>
<BR>
Please help to solve this problem.<BR>
<BR>
thanks in advance.<BR>
<BR>
</P>
<br><br>
<Table border=0 Width=644 Height=57 cellspacing=0 cellpadding=0 style='font-family:Verdana;font-size:11px;line-height:15px;'><TR><td><a href='http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198@Middle5/2030902_2023692/2033978/1?PARTNER=3&OAS_QUERY=null' target=new ><img src ='http://imadworks.rediff.com/cgi-bin/AdWorks/adimage.cgi/2030902_2023692/creative_2033978.gif' alt='Times Job Search' border=0></a></td></TR></Table>