CHARMM Development Project Forums User Discussion & Questions Parameter Set Discussion Missing entries in the parameter file

Hi all,

I was just writing the rtf and parameter files for a ligand.

I got the following error while running it.

CHARMM> ic param

***** LEVEL -1 WARNING FROM *****
***** CODES> MISSING PARAMETERS
******************************************
BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5


Now, the point is that CHARMM usually shows the parameters which are missing and for us, debugging gets much easier.

In this case, CHARMM is not showing any kind of data mentioning the parameters missing.

I am completely in dark about what kind of missing parameter problem it is. I have checked the parameter file. No angle or bond parameter is missing. But when I place the "stop" just after the BONDS section, the same error message appears. So, I thought that there should be some kind of missing bond parameters. But it is not.

Can you help me out ???



_______________________________________________

Souparno Adhikary,
Centre of Excellence in Bioinformatics,
Bose Institute,
Kolkata,
India.

The context for these "missing parameters" is different enough that this should have been a new post.

The END statement is used to terminate a parameter file, not STOP.

Your IC table is probably implying a bond or angle for which there are no parameters; you should carefully review it.

I am making it a new post... This should be thoroughly discussed...

You should consider providing more information; it isn't clear how you are creating these new files, and what they contain. You can post the files as attachments, after adding a .txt extension, using the Full Reply Screen.

Note that PSF and energy based commands give more information about missing parameters, but that IC PARAM seems to be lacking in this regard.