[gmx-developers] no residuetypes.dat file within charmm22-star.ff

[Hongbin Wan]

Hi all,

I am trying to add a new residue(NLE) into charmm22-star.ff, and after
modifying .rtp&.hdb files, running pdb2gmx gave me one error as following:

Warning: Residue NLE65 in chain has different type (Other) from starting
residue LEU42 (Protein).

And on the Gromacs website, it says I need to add the new residue info to
residuetype.dat. However, charmm22-star.ff does not have this file. Could
anyone tell me how to solve this issue?

Thanks a lot.

-- 
Hongbin Wan

*Department of Chemistry*

*130 Beury Hall*

*1901 N 13th Street*

*Philadelphia, PA 19122*

Email: tuf74538 at temple.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20161028/aeb4b978/attachment.html>