Tag Archives: tleap

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 […]

Sulfating GLYCAM Residues

This information is out of date and retained here only for historical purposes.  Use the information here at your own risk! These instructions apply to O-sulfation of residues from GLYCAM06 and later. The method for adding sulfation to GLYCAM residues is very similar to the method for building branched structures. The only complicated part involves […]

Adding chemical derivatives to GLYCAM residues

These instructions apply to residues from GLYCAM06-h and later.  They also require that you use pre-existing residues in the GLYCAM prep file database.  However, there are brief notes regarding modifications of existing residues, if that is required. The method for adding derivatives to GLYCAM residues is very similar to the method for building branched structures. […]