[gmx-users] EM broke protein-lipid system
Du Jiangfeng (BIOCH)
j.du at maastrichtuniversity.nl
Mon Jun 20 18:46:39 CEST 2011
Dear Gromacs Users,
It comes to me with million problems per day during I am using gromacs. :(
Maybe you are the right persons i should ask about coarse grained protein-lipid simulation. Right now I have a system with a bilayer (DOPCs) and a protein (Histone). After EM simulation, it worked quite well.... Then, this system was filled with water and was performed by EM again. Then it was scattered severely. Though I tried lipid constraint and many other methods, the problem is still here....
Any suggestions?
Thank you guys in advance,
Jiangfeng Du, PhD Student
Cardiovascular Research Institute Maastricht
Department of Biochemistry
P.O. Box 616
Mobile: +31-681741859
FAX: +31-43-3884159
6200 MD Maastricht
The Netherlands
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