[gmx-users] ATP parameters

Paul Barrett barrett at biop.ox.ac.uk
Wed Feb 12 15:25:28 CET 2003


Im modelling a protein with ATP in its active site. 

ATP is not present on the distributed versions of atommass.dat
vdwradii.dat etc so I have been editing these files and adding my own
entries for ATP.

What parameters are other people using for the VdW atom mass etc (bond
lengths?) for ATP?

many thanks


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