there is RMSF and hydrogen bond

yes that will be great because i can see that the generated plots after md run is only RMSD and Rg..If i want to generate RMSF for example hopw can I do it if i dont have the generated files... thank you

I dont understand. So how can I keep the files of simulation to be used for further analysis.
how can i save the topology files and plots and other files

Hi

I have a problem with Gromacs extension.

I performed a simulation with a protein and I can see the files generated in the gromacs folder in Appdata/Local/OneAngstrom/Scratch/GROMACS/Generated Files.
The problem is that suddenly the files DISAPPEAR and I can not find them. Is this a problem with the software or with my computer. But I tried on 2 computers and same happens.

Thank you

Thanks this is very good to know

why dont you add the possibility of adding kollman and gastegier charges like in autodock tools.
so we can add H, charges, minimize the protien in the same application

well i was mistaken i am sorry

Hi

i think you can add the parameters same as present in AD Vina.. like number of seed generations, the algorithm used , etc...

thanks so much.. i am enjoyng this software

thank you i find it...

if i think of sth,i will tell you...

May be try to add different algorithms like genetic and lamarikan