there is RMSF and hydrogen bond
Sherif 0
@Sherif 0
Posts made by Sherif 0
-
RE: GROMACS files not seen
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
-
RE: GROMACS files not seen
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 -
GROMACS files not seen
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
-
RE: Autodock Vina Extended problem
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 -
RE: Autodock Vina Extended problem
Hi
i think you can add the parameters same as present in AD Vina.. like number of seed generations, the algorithm used , etc...
-
RE: Autodock Vina Extended problem
thanks so much.. i am enjoyng this software
-
RE: Autodock Vina Extended problem
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