[gmx-users] mdrun no structural output

Hi everybody, I wanted to do a minimization with mdrun but the only output I get is: 3m71_minim.edr 3m71_minim.log 3m71_minim.trr But no structure file like .pdb i.e. There was no error in the step before where I prepared the input file with grompp. My .mdp file looks like this: define

Re: [gmx-users] mdrun no structural output

On 7/3/12 5:40 AM, reising...@rostlab.informatik.tu-muenchen.de wrote: Hi everybody, I wanted to do a minimization with mdrun but the only output I get is: 3m71_minim.edr 3m71_minim.log 3m71_minim.trr But no structure file like .pdb i.e. There was no error in the step before where I prepared