[gmx-users] pdb2gmx

[dr.horsfield at physics.org]

Hi,

Is it possible to pursuade pdb2gmx not to break my nice single stranded
protein into three strands?

Using -merge does not work because there is a second problem. pdb2gmx
tries to put a break before a PRO residue, and then it has trouble with
the N termination. I get the message:

  Fatal error: atom H not found in residue 557PRO while combining tdb and rtp

Without the -merge option there is no error message.

Cheers,

Andrew