<P>
hi, <BR>
Actualy in the same directory and there are files with .hdb .atp extensions, but the <BR>
problem is that i am yet to know how to get those files which I am missing?<BR>
thanks<BR>
sarbani <BR>
<BR>
<BR>
On Thu, 17 Jan 2008 Justin A.Lemkul wrote :<BR>
>Take a look at the other force field files in the same directory. What files<BR>
>are there (.rtp, .atp, .hdb, etc)? You are still missing a lot of files.<BR>
>Search the mailing list archive for charmm; I recall seeing a few posts<BR>
>regarding where to download the necessary components, but I have never used<BR>
>them so I can't help much more than that.<BR>
><BR>
>-Justin<BR>
><BR>
>Quoting sarbani chattopadhyay <sarbani_c84@rediffmail.com>:<BR>
><BR>
> > 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<BR>
> > 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<BR>
> > 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>
> ><BR>
><BR>
><BR>
><BR>
>========================================<BR>
><BR>
>Justin A. Lemkul<BR>
>Graduate Research Assistant<BR>
>Department of Biochemistry<BR>
>Virginia Tech<BR>
>Blacksburg, VA<BR>
>jalemkul@vt.edu | (540) 231-9080<BR>
>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/<BR>
><BR>
>========================================<BR>
</P>
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