Re: [gmx-users] ions.itp file for polarized ions

2013-02-18 Thread Cuong Nguyen
Thank you very much David Cuong On 18 February 2013 17:40, David van der Spoel wrote: > On 2013-02-18 10:16, Cuong Nguyen wrote: > >> Dear Gmx-users, >> >> I have ions.itp file for polarized Na+ and Cl- as follows: >> >> >> ; Sodium, Na+ >> [ moleculetype ] >> ; molnamenrexcl >> Na+

Re: [gmx-users] ions.itp file for polarized ions

2013-02-18 Thread David van der Spoel
On 2013-02-18 10:16, Cuong Nguyen wrote: Dear Gmx-users, I have ions.itp file for polarized Na+ and Cl- as follows: ; Sodium, Na+ [ moleculetype ] ; molnamenrexcl Na+1 [ atoms ] ; idat typeres nrresidu nameat namecg nrcharge 1Nac1Na+Nac1

[gmx-users] ions.itp file for polarized ions

2013-02-18 Thread Cuong Nguyen
Dear Gmx-users, I have ions.itp file for polarized Na+ and Cl- as follows: ; Sodium, Na+ [ moleculetype ] ; molnamenrexcl Na+1 [ atoms ] ; idat typeres nrresidu nameat namecg nrcharge 1Nac1Na+Nac11+0.312403 2Nas1Na+