[gmx-users] empty aminoacids.n.tdb and aminoacids.c.tdb files for Amber99*

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Tue Apr 5 15:27:24 CEST 2016


Hello again

I have noticed that in case of the amber* forcefields (in gromacs v504) the aminoacids.n.tdb and aminoacids.c.tdb files are empty* so it is not possible to construct easily a capped AA with the pdb2gmx -ter command without using a rtp file (and it is very painful). So does anyone have the modified (uptated) aminoacids.n.tdb and aminoacids.n.tdb files that contains the capped entries that in charmm distribution  

*This limitation was also discussed in the following thread 

http://comments.gmane.org/gmane.science.biology.gromacs.user/69523

Thanks

Stephane


More information about the gromacs.org_gmx-users mailing list