Re: [gmx-users] problem in distance restraint

2013-01-29 Thread Justin Lemkul
Please keep the discussion on the gmx-users mailing list. On 1/29/13 12:20 PM, Masomeh Dehghani wrote: Dear Justin Have a nice time. Thank you for your reply. I did my simulation with distance restraint again.(my system has 6 water molecule, I want to imose distance restarint between oxygen at

Re: [gmx-users] problem in distance restraint

2013-01-28 Thread Justin Lemkul
On 1/28/13 2:10 PM, Masomeh Dehghani wrote: Dear users I have 6 water molecules ,I want to constraint the distance between 6 oxygen atoms in 0.42 nm from together.I read GROMACS manual but I had fatal erorr. Here there is disres.itp file: ; Include Distance restraints file #ifdef DDISR

[gmx-users] problem in distance restraint

2013-01-28 Thread Masomeh Dehghani
Dear users    I have 6 water molecules ,I want to constraint the distance between 6 oxygen  atoms in 0.42 nm  from together.I read GROMACS manual but I had fatal erorr.   Here there is  disres.itp file:   ; Include Distance restraints file #ifdef DDISRES #endif [ distance_restraints ] ;ai aj