[gmx-users] UNK not found

2011-11-21 Thread Janowicz, Adrianna C.
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

Re: [gmx-users] UNK not found

2011-11-21 Thread Justin A. Lemkul
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

RE: [gmx-users] UNK not found

2011-11-21 Thread Dallas Warren
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

[gmx-users] UNK not found in residue topology

2011-11-14 Thread Janowicz, Adrianna C.
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

Re: [gmx-users] UNK not found in residue topology

2011-11-14 Thread Justin A. Lemkul
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

[gmx-users] UNK not found in residue topology

2011-11-11 Thread Janowicz, Adrianna C.
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

Re: [gmx-users] UNK not found in residue topology

2011-11-11 Thread Justin A. Lemkul
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