Hi, I am an Undergraduate student at Centre for Biotechnology, anna University. Presently I am doing my project, and it involves Molcular dynamics simulation of Candida rugosa Lipase in CCL4 enviornment. I have set up a cluster of 16 nodes using LAM and using GROMACS 3.1 for the simulation. I have just started off with the dynamics part, in which I have to generate a solvent box filled with CCL4. I tried to get the pdb file of the ccl4 molecule and tried to generate the required .gro file. It works but when i do the grompp step I get teh following error. Fatal error: number of coordinates in coordinate file (b4em.gro, 5391) does not match topology (1crl.top, 5126) Please help me out with this. If you have a .gro file of the CCl4 solvent which replaces the default spc216.gro, please send it to me. And also instruct me on the steps I should follow to run this simulation in CCl4 box. Venky _______________________________________________________________________ Odomos - the only mosquito protection outside 4 walls - Click here to know more! http://r.rediff.com/r?http://clients.rediff.com/odomos/Odomos.htm&&odomos&&wn