Re: [gmx-users] POPC Membrane + protein dynamics

2010-03-26 Thread padhu
file: grompp.c, line: 448 Fatal error: number of coordinates in coordinate file (pope.pdb, 37867) does not match topology (topol_pope.top, 46779) --- can any one have idea about how to solve this error. thanks in advance, Padhu. >

Re: [gmx-users] POPC Membrane + protein dynamics

2010-02-26 Thread padhu
Dear Justin, Many thanks for your comprehensive mail. I will try to do it and let you know if i come across any problem..(Definetely i may bug u again :)) Thank you so much. Best regards Padhu > > > pa...@ncbs.res.in wrote: >> Dear All, >> I'm a new comer to gromacs. I

[gmx-users] POPC Membrane + protein dynamics

2010-02-25 Thread padhu
Dear All, I'm a new comer to gromacs. I need to perform molecular dynamics simulation of my protein within the POPC membrane. I have downloaded the 128a popc lipid from Prof.Tieleman's group along with the required popc.itp. My protein of interest is 458 residues. Since the 128a popc is already Sim