We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Loading atom indices from a PDB file is relatively slow. Such a startup can be very tedious when using VMD on a large system, for example.
Although one can do the following:
colvar { function1 { atoms { name myatoms atomsFile file.pdb } } function2 { atoms { atomsOfGroup myatoms } } }
it would not be too difficult to add a convenience function that automatically does that when it detects multiple reads of the same file.
The text was updated successfully, but these errors were encountered:
No branches or pull requests
Loading atom indices from a PDB file is relatively slow. Such a startup can be very tedious when using VMD on a large system, for example.
Although one can do the following:
it would not be too difficult to add a convenience function that automatically does that when it detects multiple reads of the same file.
The text was updated successfully, but these errors were encountered: