Am 06.12.2012 21:16, schrieb Justin Lemkul: > > > On 12/6/12 3:12 PM, fatemeh ramezani wrote: >> hello >> I want to simulate gold nanoparticles with proteins. I've made a >> PDF file containing the nanoparticles and proteins, using Hayprkm >> software.then Ihave used thisPDF fileto start the simulation by >> gromacs. But in the early stage of equilibrium, I am faced with the >> following error. > advertisement <
Concerning topologies and parameters: you can take a look at some of my and my collaborator's work: M. Hoefling, F. Iori, *S. Corni*, K.E. Gottschalk. Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations, Langmuir 26, 8347 (2010) and F. Iori, R. Di Felice, E. Molinari, *S. Corni*, GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces , J. Comput. Chem., 1465 (2009). Best Martin -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
