[gmx-users] Simulating protein peptide complex
ruben at sanbi.ac.za
Tue May 13 10:52:11 CEST 2014
Hi, Justin regarding protein peptide simulation do i prepare the peptide
as i would a ligand (PRODRG) and add topology to .gro file?
Is there a tutorial for protein protein simulation?
Hope you can assist
On 26/04/2014 14:50, Justin Lemkul wrote:
> On 4/26/14, 8:42 AM, Andrew Bostick wrote:
>> Dear Justin
>> Thanks for your reply.
>> This problem can be solved by changing the parameters related to file
> Well, you could, but that would require reformatting your file system
> for something that can handle file size > 2 GB.
>> If I add another RAM to my computer system, my problem solves?
> The simplest solutions are what I stated before - reduce your output
> volume or conduct your runs in shorter intervals of time. This is a
> very easy limitation to overcome, given the ability to concatenate the
> output later (obviously on a different machine that supports larger
More information about the gromacs.org_gmx-users