[gmx-users] RNA MD

Dear experts, Hello! Is it possible to run RNA md with GBSA? Thank you. bestKim. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_

[gmx-users] MD problem with nwall=2

Dear Experts Hello. I have tried to run md simulation with wall option, which included "nwall=2". However, there have been some problems. Always, the running is down with no error message or a message like below. ---Program mdrun_mpi_d, VERSI

[gmx-users] Hydrophobic cores

Dear Experts, Hi, Is there any tools in gromacs to get "Hydrophobic cores" of protein ? Best, Hyun -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.

[gmx-users] how to prepare implicit solvent system??

Dear experts, hi, I'm using Gromacs for implicit solvent system, Can anybody let me know hot to prepare the implicit solvent system?? Thanks -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please s

RE: [gmx-users] How to remove charge of 5e-2 ??

> Date: Tue, 5 Apr 2011 23:43:19 +1000 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] How to remove charge of 5e-2 ?? > > On 5/04/2011 11:17 PM, Hyunsik wrote: > > Dear experts, > > > > Hi, > > > > When prepare a system, the system had +5.5. So I add 5 CL

[gmx-users] How can I convert Gromacs ouput to Desmond input file??

Dear experts, Hi, I used to gromacs for MD, but there is need to make desmond file from gromacs output. If there is anyone who know how to this, please let me know. Thank you very much. -Hyun--- gmx-users mailing listgmx-users@gro