[gmx-users] tip5p water model:Atomtype LP1 not found
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ahmedo047 at gmail.com
Thu Apr 11 07:56:23 CEST 2013
Dear users,
I am trying MD simulation of tip5p water model. I am getting Fatal
Error:Atomtype LP1 not found.
There isnt LP in atomtypes.atp file. Which one corresponds to LP1 and LP2
atoms in atomtypes.atp file?
(I am using Gromacs 4.5.5)
usr/share/gromacs/top/gmx.ff/tip5p.itp
...
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 OW 1 SOL OW 1 0
2 HW1 1 SOL HW1 1
0.241
3 HW2 1 SOL HW2 1 0.241
4 LP1 1 SOL LP1 1 -0.241
5 LP2 1 SOL LP2 1 -0.241
....
--
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