Printing parameter files with "neg" about q2mm HOT 2 CLOSED

This seems odd to me. The current version of parameters.py has

    # Print the parameters.                                                                               
    if opts.printparams:
        for param in params:
            if param.ptype in ['df', 'q']:
                print('{} {} neg'.format(param.mm3_row, param.mm3_col))
            else:
                print('{} {}'.format(param.mm3_row, param.mm3_col))

This does place the keyword "neg" after dihedrals and charge parameters for me.

Nonetheless, saying if param.allow_negative makes more sense, so I'll make that change.

from q2mm.

So obviously I'm not using the latest code. This will work better when I can get our git talk to GitGub...
/Per-Ola

Sent from my iPhone

On 9 okt. 2015, at 16:36, Eric Hansen <[email protected]mailto:[email protected]> wrote:

This seems odd to me. The current version of parameters.py has

# Print the parameters.
if opts.printparams:
    for param in params:
        if param.ptype in ['df', 'q']:
            print('{} {} neg'.format(param.mm3_row, param.mm3_col))
        else:
            print('{} {}'.format(param.mm3_row, param.mm3_col))

This does place the keyword "neg" after dihedrals and charge parameters for me.

Nonetheless, saying if param.allow_negative makes more sense, so I'll make that change.

Reply to this email directly or view it on GitHubhttps://github.com//issues/11#issuecomment-146890206.

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from q2mm.