[gmx-users] A wired fatal error in grompp about ions
bmbbl at bmb.leeds.ac.uk
Sun Jan 30 17:48:51 CET 2005
Since I dont know how to define K ion atomtype with the using of gromos96 ff,
I tried to replace K by Na.
What I have done is that replaced K by Na in .gro, .top and .mdp. The wired
thing is when I ran grompp. The program still keeps giveing the fatal error
warning: Atomtype 'K' not found!.
By the way, does it really matter I use GROMOS96 ff (ff43*) rather than other
Help! Thanks a lot!
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