[gmx-users] pdb2gmx

dr.horsfield at physics.org dr.horsfield at physics.org
Fri Aug 30 17:42:39 CEST 2002


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.



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