Hi,
I'm new to the AMBER field. I'm attempting the dynamic simulation of a
drug's interaction with heme in solution. I'm trying to use the
parameterized heme as available here:
http://www.pharmacy.manchester.ac.uk/bryce/amber/.
The following is my input:
> source leaprc.ff03ua
>> (parameters and libraries are successfully loaded)
> loadamberparams "~/frcmod.hemall"
>> Loading parameters: ~/frcmod.hemall
>> Reading force field modification type file (frcmod)
>> Reading title:
>> Heme parameters
> heme = loadamberprep "~/heme_all.in"
>> Loading Prep file: ~/heme_all.in
>> (no charges read on atoms lines in Heme residue ALL ATOM, Yves
names, Bayly-modified)
When I attempt to visualize, via "edit heme", I get ...
Creating a new, empty UNIT "heme"
... and an empty visualization window.
This is where I'm stuck.
Thank you in advance for any help you can offer!
Kevin Murphy
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Received on Wed Oct 29 2014 - 10:30:03 PDT
