[gmx-users] Output of rotation

2012-09-30 Thread Shima Arasteh
Dear gmx users, I have .pdb file. This .pdb file represents a dimer protein. When I try to generate a topology file of it, GROMACS asks for terminals one by one, ( 2 N-terminals, 2 C-terminals ) . But after rotation of protein, 2 terminals are lost and the total charge is incorrect. The pdb

Re: [gmx-users] Output of rotation

2012-09-30 Thread Tsjerk Wassenaar
Hi Shima, How did you rotate the structure? Probably the TER records got lost in the process. Cheers, Tsjerk On Sun, Sep 30, 2012 at 9:23 AM, Shima Arasteh shima_arasteh2...@yahoo.com wrote: Dear gmx users, I have .pdb file. This .pdb file represents a dimer protein. When I try to

Re: [gmx-users] Output of rotation

2012-09-30 Thread Shima Arasteh
-users] Output of rotation Hi Shima, How did you rotate the structure? Probably the TER records got lost in the process. Cheers, Tsjerk On Sun, Sep 30, 2012 at 9:23 AM, Shima Arasteh shima_arasteh2...@yahoo.com wrote: Dear gmx users, I have .pdb file. This .pdb file represents a dimer protein