Hi Mark, I need 36 because I am working with carbohydrate (mannose). Here is the link for 36: http://mackerell.umaryland.edu/CHARMM_ff_params.html Plese look at this file: toppar_carbo_jul_2009.tgz<http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/toppar_carbo_jul_2009.tgz>
It would be very helpful to me if you can fix the scripts accordingly. Thanks Chanchal On Fri, Nov 20, 2009 at 8:20 PM, Mark Abraham <[email protected]>wrote: > Chanchal wrote: > >> Hi All, >> I want to create ffcharmm*.itp file from par_all36_carb.prm using the >> script provided by Mark Abraham. While I used execute the command ./ >> convert_charmm_to_gromacs.pl <http://convert_charmm_to_gromacs.pl> >> par_all36_carb.prm , I got this message: >> Argument "CTOFNB" isn't numeric in multiplication (*) at ./ >> convert_charmm_to_gromacs.pl <http://convert_charmm_to_gromacs.pl> line >> 270, <GEN0> line 1382. >> Argument "EPS" isn't numeric in multiplication (*) at ./ >> convert_charmm_to_gromacs.pl <http://convert_charmm_to_gromacs.pl> line >> 279, <GEN0> line 1382. >> > > As Justin said, you're giving inputs for which the script wasn't developed, > and the format could easily have changed. If you can tell me why 36 is > necessary and 27 insufficient for your needs, and a link to your source for > 36, then I'll look at why the 36 file doesn't work. > > Mark > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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