On 12/1/13 11:06 AM, kolnkempff wrote:
Thanks Justin, I appreciate your patience with newbie questions.
When I realign columns, I get:
Fatal error:
Atom H in residue ACE 1 was not found in rtp entry ACE with 6 atoms
while sorting atoms.
So I tried the flag -ignh which produced:
Fatal error:
A
Thanks Justin, I appreciate your patience with newbie questions.
When I realign columns, I get:
Fatal error:
Atom H in residue ACE 1 was not found in rtp entry ACE with 6 atoms
while sorting atoms.
So I tried the flag -ignh which produced:
Fatal error:
Atom C in residue NME 3 was not found in rtp
On 11/29/13 7:23 PM, kolnkempff wrote:
pdb2gmx produces error message:
Fatal error:
Residue 'E' not found in residue topology database
But there is no "Residue 'E' " in my pdb file (see below). I have verified
that all residues in the pdb file are listed in ffamber03.rtp and pdb2gmx
does iden
pdb2gmx produces error message:
Fatal error:
Residue 'E' not found in residue topology database
But there is no "Residue 'E' " in my pdb file (see below). I have verified
that all residues in the pdb file are listed in ffamber03.rtp and pdb2gmx
does identify the ACE and NME caps.
COMPNDUNNA
