I have just recently started using Leap with Amber6 and would like
to know if there is a way to load a coordinate (or restart) file
directly into XLEaP, e.g. to visualize a molecule where minimization
or MD has just been carried out, and to proceed further on that structure.
Some solvated molecules are too big for pdbgen to handle (max. 12000
atoms).
You can use carnal to generate a pdb - it'll handle any size
of system - or redimension pdbgen or ambpdb bigger & recompile.
Bill Ross
Received on Wed Sep 20 2000 - 12:39:11 PDT
