Re: [gmx-users] How does gromacs checkpoint works

Hi Mark, Thank you very much! Regards, Husen On Thu, Jun 23, 2016 at 3:42 PM, Mark Abraham wrote: > Yes > > On Thu, Jun 23, 2016 at 9:54 AM Husen R wrote: > > > Hi, > > > > Could you tell me the location of the code ? > > is this the location of

Re: [gmx-users] How does gromacs checkpoint works

Yes On Thu, Jun 23, 2016 at 9:54 AM Husen R wrote: > Hi, > > Could you tell me the location of the code ? > is this the location of the code -> > gromacs-5.1.2/src/gromacs/gmxlib/checkpoint.cpp ? > > regards, > > Husen > > On Thu, Jun 23, 2016 at 2:23 PM, Mark Abraham

Re: [gmx-users] How does gromacs checkpoint works

Hi, Could you tell me the location of the code ? is this the location of the code -> gromacs-5.1.2/src/gromacs/gmxlib/checkpoint.cpp ? regards, Husen On Thu, Jun 23, 2016 at 2:23 PM, Mark Abraham wrote: > Hi, > > There's only the code. All you have to do is write

Re: [gmx-users] How does gromacs checkpoint works

Hi, There's only the code. All you have to do is write down everything that you were going to need to read to do the next step (unless it's from the .tpr). Add some checksums of the last pieces of output files, so you can help the user not mangle their files upon restart. Decide how you're going

[gmx-users] How does gromacs checkpoint works

Hi all, For academic purpose, I'm wondering how does checkpoint feature in Gromacs works ? is there any resource/tutorial that I can learn ? Thank you in advance, Husen -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List