Open ions.itp and check what does Sodium is called for OPLSAA force field.
On 7/5/2007 10:22 PM, naga raju wrote:
Dear gmx users,
I am trying to neutralize lipid
bilayer with Na ions by using genion command:
genion -f bilayer.tpr -o bilayer-Na.pdb -np 32 -pn
You can build a file, e.g. sodium.itp:
[ moleculetype ]
; Namenrexcl
sodium1
[ atoms ]
; nr type resnr residue atom cgnr charge mass typeB
chargeB massB
1 opls_405 1 Na Na 1 1 35.453 ;
qtot 1
2 opls
> Dear gmx users,
> I am trying to neutralize lipid bilayer
> with Na ions by using genion command:
> genion -f bilayer.tpr -o bilayer-Na.pdb -np 32 -pname Na -pq 1
>
> Here is my bilayer.top file
> #include "ffoplsaa.itp"
> #include "pope.itp"
> #include "dpop
Dear gmx users,
I am trying to neutralize lipid bilayer with
Na ions by using genion command:
genion -f bilayer.tpr -o bilayer-Na.pdb -np 32 -pname Na -pq 1
Here is my bilayer.top file
#include "ffoplsaa.itp"
#include "pope.itp"
#include "dpopg.itp"
#include
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