[gmx-users] Regarding 2D simulation

Dear all Gromacs users, I am running the simulation using pbc in 2 directions instead of all directions. For example, pbc = xy instead of pbc = xyz. Kindly tell me how to run the simulation using pbc in two directions. Best Regards, Raju Lunkad -- Gromacs Users mailing list * Please search

[gmx-users] Mdrun with rdd option

affected using "rdd" option. Best Regards, Raju Lunkad -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)

[gmx-users] Regarding too many LINCS warnings

Dear all Gromacs Users, In one of my simulations when I use the command mdrun -v -deffnm nvt I face with this fatal error: Too many LINCS warnings (1056) I dont know what does it mean and how can I fix it! Regards, Raju Lunkad -- Gromacs Users mailing list * Please search the archive at http

[gmx-users] Regarding generating itp file.

Dear GROMACS Admins, I want to generate itp file of crystal structure ( calcium oxalate monohyrate). Can anyone suggest me how to generate itp file. Thanking you, Yours sincerely, Raju Lunkad -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support

Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 140, Issue 43

Re: Performance on multiple GPUs per node (Szil?rd P?ll) >6. Regarding generating itp file. (Raju Lunkad) >7. Re: Regarding generating itp file. (Justin Lemkul) > > > -- > > Message: 1 > Date: Fri