(Openmm21) project p13781-p13783 to FAH

金鹏

PPD貌似没啥惊喜,基本上没有优化

(Openmm21) project p13781-p13783 to FAH

by juanmit » Tue Mar 06, 2018 11:36 pm

[size=1.3em]these projects (13781-13783) simulate a millisecond folder NTL9(1-39) with different force fields. We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodology to better identify and efficiently sample mutation-induced changes in kinetics and conformational populations.(http://fah-web.stanford.edu/cgi-bin/fah ... d?p=137810

(Openmm21) project p13781-p13783 to ADV

by juanmit » Sat Feb 24, 2018 2:54 am

[size=1.3em]Projects number: p13781-13783 on vav3.ocis.temple.edu

These projects (13781-13783) simulate a millisecond folder NTL9(1-39) with different force fields. We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodology to better identify and efficiently sample mutation-induced changes in kinetics and conformational populations. (http://fah-web.stanford.edu/cgi-bin/fah ... ed?p=13781)

(Openmm21) project p13781-p13783 for beta testing

by juanmit » Wed Feb 07, 2018 10:57 pm

[size=1.3em]Projects number: p13782 on vav3.ocis.temple.edu

These projects (13781-13783) simulate a millisecond folder NTL9(1-39) with different force fields. We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodology to better identify and efficiently sample mutation-induced changes in kinetics and conformational populations. (http://fah-web.stanford.edu/cgi-bin/fah ... ed?p=13781)

stats credit: 5000
timeout: 7
deadline 10
k-factor v=0.75
number of atoms: 11987

p13781 and 13783 are in testing on our own workstations.

PS. I am new to openmm21, and I have done testings on two gpu cores(980 and 1070) without any errors.
Please let me know if there are any issues on your gpu cores.
Happy folding!!!!
--Hongbin