Re: [gmx-users] asking for N and C termini for DNA and giving error

2014-03-17 Thread Sucharita Dey
Thanks Justin. I have very recently started doing MD, guided by Gromacs tutorials; not aware of this issue. Thanks for you suggestion, I will try with Amber ff. Sucharita Dey,PhD, Research Fellow, Cancer Science Institute of Singapore, National University of Singapore. 14, Medical Drive,

[gmx-users] asking for N and C termini for DNA and giving error

2014-03-14 Thread Sucharita Dey
Hello, My protein is pr-DNA complex, it is identifying DNA terminus and searching for N and C in tdb file giving error. When I select -ter and specify none as termini , it still gives error saying There is a dangling bond at at least one of the terminal ends. Fix your coordinate file, add a