Re: [gmx-users] Index error

2013-07-25 Thread Justin Lemkul
Please don't reply to the whole digest. On 7/25/13 1:47 PM, Collins Nganou wrote: Dear Justin, Thanks for your answer... I move so far... My aim was to ask gromacs to read directly a modify protein SOL+NA, not protein SOL NA But I have not succeed so far. I don't understand what you're a

Re: [gmx-users] Index error

2013-07-24 Thread Justin Lemkul
On 7/24/13 8:34 AM, Collins Nganou wrote: Dear Users, I would like to know if anyone may help me understand how to update the index file. I am trying to simulate a dna in solution. I have relaxed a Solvent with attached min.mdp file without problem. in the second step I was intended to relax S

[gmx-users] Index error

2013-07-24 Thread Collins Nganou
Dear Users, I would like to know if anyone may help me understand how to update the index file. I am trying to simulate a dna in solution. I have relaxed a Solvent with attached min.mdp file without problem. in the second step I was intended to relax SOL + Na DNA with 20ps.mdp. But the index file