subject:"\[gmx\-users\] Protein ligand segmentation fault"

Re: [gmx-users] Protein ligand segmentation fault

2011-06-02 Thread Justin A. Lemkul

גדעון לפידות wrote: Hi all, I have been trying to run a protein ligand simulation in water using Gromacs version 4.0.7 and GROMOS 53a6 ff. My protein is about 250 aa and my ligand is pip3 (Phosphatidylinositol (3,4,5)-trisphosphate) which I have constructed using PRODRG (using EM and full ch

[gmx-users] Protein ligand segmentation fault

2011-06-02 Thread גדעון לפידות

Hi all, I have been trying to run a protein ligand simulation in water using Gromacs version 4.0.7 and GROMOS 53a6 ff. My protein is about 250 aa and my ligand is pip3 (Phosphatidylinositol (3,4,5)-trisphosphate) which I have constructed using PRODRG (using EM and full charges option). I have tried