MD analysis Problem

[Santosh456]

GROMACS version:
GROMACS modification: Yes/No
Here post your question
Gyrate Problems: Why -tu ns flag cannot be used to calculate gyrate? In my case, It only shows ps.

RMSF Problem: Is there any command to calculate rmsf in terms of residues vs rmsf instead of atoms vs rmsf?
Your help is highly appreciated

[jalemkul]

@Santosh456

Gyrate Problems: Why -tu ns flag cannot be used to calculate gyrate? In my case, It only shows ps.

Not all tools have the -tu option. Just divide the time column in the output file by 1000 using your favorite scripting language.

@Santosh456

RMSF Problem: Is there any command to calculate rmsf in terms of residues vs rmsf instead of atoms vs rmsf?

That’s what the -res option does.

[Santosh456]

Thank YOu