Category Archives: FAQ

Where are the files for simulations?

Files for running simulations can only be downloaded if you choose to download all files.   You can choose between a zip or tgz (tar + gzipped) archive.  The archive contains a number of files, including the parameter-topology (prmtop, parm7) and input-coordinate (inpcrd, rst7) files you need for AMBER molecular dynamics simulations.

Which protein force fields are compatible with GLYCAM?

This is actually two different questions. Both will be addressed here. Question 1:  In a simulation, which protein force fields behave well with GLYCAM? The GLYCAM force fields are designed to be independent of other biomolecular force fields, and, therefore, to work at least reasonably well with any of them.  The philosophy is that if […]

How can I use GLYCAM files in the oldff directory?

This question refers to the leaprc files stored in $AMBERHOME/dat/leap/cmd/oldff in distributions of AmberTools. Before answering the question, it is important to know that files in the oldff directory have been placed there because they are no longer recommended.  It isn’t necessarily that those old force fields are terrible; it’s just that the newer ones […]

Where did the AMBER Input Configurator go?

We stopped supporting the AMBER Input Configurator because the field of classical dynamics simulations is moving very rapidly, and we were finding it hard to keep up.  That is, the recommended set of inputs, and their inter-relationships, keeps changing, and might differ from one simulation engine to another (e.g., sander vs pmemd).  This is particularly true […]