Dear Amber users,
I am trying to run simulation on a 300 aa protein with two inhibitors in
the binding site. I used antechamber to prepare the parameter and used
tleap to prepare my file and tried to run the simulation. No error message
is shown. When I tried to do the first minimization, the error message came
out as " Segmentation fault". I attached my file in the attachment. Could
anyone tell me how to solve this problem?
Thanks for any help!
--
Shuyi Cao
Graduate student
Department of Medicinal chemistry and Pharmacognosy
College of Pharmacy
Univerisity of Illinois at Chicago
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- application/octet-stream attachment: tleap.in
- application/octet-stream attachment: min1.in
Received on Mon Apr 23 2012 - 17:00:03 PDT
