[gmx-users] residuetypes.dat file problem

Mishelle Oña samimishu at hotmail.com
Sat Feb 18 18:41:08 CET 2017


Hello everyone,

I am modifying a force field to simulate a Polymer. I have add the monomers of my polymer in residuetypes.dat file as follows:

ETHB      Polymer

ETHP      Polymer

ETHE      Polymer

When I run the pdb2gro command a message like this appears:

Processing chain 1 (153 atoms, 30 residues)
Warning: Starting residue PLAB1 in chain not identified as Protein/RNA/DNA.
Warning: Starting residue PLAP2 in chain not identified as Protein/RNA/DNA.
Warning: Starting residue PLAP3 in chain not identified as Protein/RNA/DNA.
Warning: Starting residue PLAP4 in chain not identified as Protein/RNA/DNA.
Warning: Starting residue PLAP5 in chain not identified as Protein/RNA/DNA.
More than 5 unidentified residues at start of chain - disabling further warnings

Please could you help me with this problem?

Thanks!

Mishelle


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