Re: [gmx-users] how to specify a location of a molecule in the system

2010-12-01 Thread Justin A. Lemkul
Adva Suez wrote: Hello all! I would like to insert a molecule to a membrane system and would like to start from a specific position of the molecule (hydrocarbon or lipid headgroups). I tried doing that in Pymol after converting the merged gro into pdb (using editconf) but when I saved the fi

Re: [gmx-users] how to specify a location of a molecule in the system

2010-12-01 Thread Erik Marklund
Hi, Perhaps you can do just like you did in pymol, but isntead of saving the file, mearly write down the coordinates of the newborn water and enter it into your gro-file. Cheers, Erik Adva Suez skrev 2010-12-01 08.59: Hello all! I would like to insert a molecule to a membrane system and wo

[gmx-users] how to specify a location of a molecule in the system

2010-12-01 Thread Adva Suez
Hello all! I would like to insert a molecule to a membrane system and would like to start from a specific position of the molecule (hydrocarbon or lipid headgroups). I tried doing that in Pymol after converting the merged gro into pdb (using editconf) but when I saved the file in Pymol the order of