The following is a part of a .pdb file I generated.
HETATM 250 C1 UNK 1 18.454 11.417 22.519 1.00 0.00
C
HETATM 251 C2 UNK 1 19.297 10.247 22.595 1.00 0.00
C
HETATM 252 C3 UNK 1 19.949 9.511 21.410 1.00 0.00
C
HETATM
Janowicz, Adrianna C. wrote:
The following is a part of a .pdb file I generated.
HETATM 250 C1 UNK 1 18.454 11.417 22.519 1.00 0.00
C
HETATM 251 C2 UNK 1 19.297 10.247 22.595 1.00 0.00
C
HETATM 252 C3 UNK 1 19.949 9.511
2011 8:08 AM
To: gmx-users@gromacs.org
Subject: [gmx-users] UNK not found
The following is a part of a .pdb file I generated.
HETATM 250 C1 UNK 1 18.454 11.417 22.519 1.00 0.00
C
HETATM 251 C2 UNK 1 19.297 10.247 22.595 1.00 0.00
C
HETATM 252 C3 UNK
Hello,
I'm getting an UNK not found in residue topology error message.
After I run
pdb2gmx -f XXX.pdb -o conf.pdb
Fatal error:
Residue 'UNK' not found in residue topology database
I figured out what the error was and tried to add UNK as carbon to
ffopslaa.rtf
[UNK]
[ atoms ]
UNK
Janowicz, Adrianna C. wrote:
Hello,
I'm getting an UNK not found in residue topology error message.
After I run
pdb2gmx -f XXX.pdb -o conf.pdb
Fatal error:
Residue 'UNK' not found in residue topology database
I figured out what the error was and tried to add UNK as carbon to
Hello,
I'm getting an UNK not found in residue topology error message.
I figured out what the error was and tried to add carbon to ffopslaa.rtf
but it was unsucessful.
What can I do/How can I change my pdb file from UNK so that Carbon and
Hydrogen can be recognized? (I built my own hydrocarbon
Janowicz, Adrianna C. wrote:
Hello,
I'm getting an UNK not found in residue topology error message.
I figured out what the error was and tried to add carbon to ffopslaa.rtf
but it was unsucessful.
What can I do/How can I change my pdb file from UNK so that Carbon and
Hydrogen can be
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