[gmx-users] merge option in pdb2gmx
feenstra at few.vu.nl
Tue May 10 21:57:38 CEST 2005
David van der Spoel wrote:
> On Sun, 8 May 2005, Valentin Gogonea wrote:
>>I am trying to make a bridge between two peptide chains using the
>>specbond.dat file. It works only if the "merge" option in the pdb2gmx
>>is used, but in this case pdb2gmx creates a bond between the two
>>peptide chains which eliminates two of the chain termini (one from each
>>peptide). Is there a way to avoid this elimination of termini?
> yes, give the chains a different chain label.
It would be nice if pdb2gmx understood the 'TER' field in a .pdb file...
(At least, that is less work to add than chain id's.)
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