[gmx-users] error in converting charmm to gromacs

[Mark Abraham]

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