[gmx-users] K+ atom type is not found in GROMOS96

Binbin Liu bmbbl at bmb.leeds.ac.uk
Thu Jan 27 12:12:35 CET 2005

Dear All,

Thanks for two quick reply.  XAvier is right, K is not defined in GROMOS96.

Actually, I used several K+ to neutralise the system, but the rest are used to 
do functional study. I study the effect of K+ on the protein structure and 
biological function etc. Yes, I could use Na. Will the difference of K and NA 
affect the result? 

Thanks a lot!

More information about the gromacs.org_gmx-users mailing list