Re: [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27

2011-06-29 Thread Leonhard Henkes
Thanks for your reply, my whole pdb file includes an equilibrated membrane bilayer, constructed with VMD for NAMD. I used the CHARMM27 FF while constructing it. Now, I wanted to convert this system for a run in Gromacs. To solve my issus, I divided my system into four new pdb's (ion, water, lipi

Re: [gmx-users] Iusses while converting a POPE pdb with pdb2gmx and ff charmm27

2011-06-29 Thread Leonhard Henkes
One of my issues is now solved. As you guessed, the PBD was in an improper format. After solving this small issues, I read about the need for an lipids.itp and pope.itp file. I found these tutorial (link below) for the itp file construction. Can I adept these steps for the construction of corre