Re: [gmx-users] Re: Problem with protein in lipid bilayer simulation

2009-05-12 Thread Pawan Kumar
Hello Anirban, This is due to some wrong editing and modifications of the .itp files. Please follow the tutorial carefully. The explanation for each modification is also given quite clearly. Regards, Pawan On Tue, May 12, 2009 at 2:26 PM, Anirban Ghosh wrote: > Hello Pawan and Justin, > > Thank

[gmx-users] Re: Problem with protein in lipid bilayer simulation

2009-05-12 Thread Anirban Ghosh
Hello Pawan and Justin, Thanks for the reply. I have removed the HW entries from the ffG53a6nb_lipid.itp file and still getting the error: -- Fatal error: Unknown atomtype OW --

Re: [gmx-users] Re: Problem with protein in lipid bilayer simulation

2009-05-11 Thread Pawan Kumar
Hi Anirban, I have also followed Justin sir's tutorial. You should not remove the OW entries. You can remove the HW entries for sure and then this will work. Regards, Pawan On Tue, May 12, 2009 at 9:45 AM, Anirban Ghosh wrote: > Hello Justin, > > Thanks a lot for the reply. Your tutorial is ind

[gmx-users] Re: Problem with protein in lipid bilayer simulation

2009-05-11 Thread Anirban Ghosh
Hello Justin, Thanks a lot for the reply. Your tutorial is indeed very good. I followed your tutorial on protein-lipid simulation. I added the non-bonded parameters from the lipid.itp file to the ffG53a6nb_lipid.itp file. You have told to either delete the atom-type HW entries having zero values i