Re: [gmx-users] Re: Extracting the last frame of simulation into PDB

2013-02-15 Thread Justin Lemkul
On 2/15/13 3:22 PM, zugunder wrote: Oh, forgot about it completely... Thank you very much! BTW, is there any automated way to get rid of solvent molecules in PDB? I just need the structure for further manipulations (like mutations and adding several residues to the end). I do not find any opti

[gmx-users] Re: Extracting the last frame of simulation into PDB

2013-02-15 Thread zugunder
Oh, forgot about it completely... Thank you very much! BTW, is there any automated way to get rid of solvent molecules in PDB? I just need the structure for further manipulations (like mutations and adding several residues to the end). I do not find any options in editconf, deleting manually from