Hi Sowmya,
Yes I am doing that
tleap -s -f leaprc.ff14SB.ORIG
source leaprc.gaff
loadamberparams UNK.frcmod
loadoff UNK.lib
R_config = loadpdb C8_H.pdb
solvateBox R_config TIP3PBOX 10
charge R_config
addIons R_config Cl- 2
loadAmberParams frcmod.ionsjc_tip3p
saveamberparm R_config C8.prmtop C8.inpcrd
savepdb R_config complex.pdb
quit
This is what I am doing.
________________________________
From: Sowmya Indrakumar <soemya.kemi.dtu.dk>
Sent: Monday, May 1, 2017 3:56:14 AM
To: AMBER Mailing List
Subject: Re: [AMBER] does not have a type
Hi Abhishek,
Are you loading this: source leaprc.gaff ??
Regards
Sowmya
________________________________________
From: Thakur, Abhishek [axt651.miami.edu]
Sent: Monday, May 01, 2017 4:49 PM
To: amber.ambermd.org
Subject: [AMBER] does not have a type
Hi
I am trying to make my complex prmtop and inpcrd file.
For that I have done RESP charge calculation for my ligand and then have created frcmod and lib file for my ligand.
By while generating complex parameter files it is giving me following error.
I am unable to get it why such problem is coming.
As I am providing it prmtop and lib file of my ligand.
I am attaching the prmtop, lib and pdb file of my ligand so that if any one can find my mistake.
> saveamberparm R_config C8.prmtop C8.inpcrd
Checking Unit.
FATAL: Atom .R<UNK 545>.A<C2 1> does not have a type.
FATAL: Atom .R<UNK 545>.A<H12 2> does not have a type.
FATAL: Atom .R<UNK 545>.A<H22 3> does not have a type.
FATAL: Atom .R<UNK 545>.A<C17 4> does not have a type.
FATAL: Atom .R<UNK 545>.A<H1 5> does not have a type.
FATAL: Atom .R<UNK 545>.A<H2 6> does not have a type.
FATAL: Atom .R<UNK 545>.A<C18 7> does not have a type.
FATAL: Atom .R<UNK 545>.A<C19 8> does not have a type.
FATAL: Atom .R<UNK 545>.A<C20 9> does not have a type.
FATAL: Atom .R<UNK 545>.A<C21 10> does not have a type.
FATAL: Atom .R<UNK 545>.A<C22 11> does not have a type.
FATAL: Atom .R<UNK 545>.A<C23 12> does not have a type.
FATAL: Atom .R<UNK 545>.A<N23 13> does not have a type.
FATAL: Atom .R<UNK 545>.A<C24 14> does not have a type.
FATAL: Atom .R<UNK 545>.A<H 15> does not have a type.
FATAL: Atom .R<UNK 545>.A<C26 16> does not have a type.
FATAL: Atom .R<UNK 545>.A<C28 17> does not have a type.
FATAL: Atom .R<UNK 545>.A<C27 18> does not have a type.
FATAL: Atom .R<UNK 545>.A<C29 19> does not have a type.
FATAL: Atom .R<UNK 545>.A<C25 20> does not have a type.
FATAL: Atom .R<UNK 545>.A<C30 21> does not have a type.
FATAL: Atom .R<UNK 545>.A<C31 22> does not have a type.
FATAL: Atom .R<UNK 545>.A<C33 23> does not have a type.
FATAL: Atom .R<UNK 545>.A<C32 24> does not have a type.
FATAL: Atom .R<UNK 545>.A<C35 25> does not have a type.
FATAL: Atom .R<UNK 545>.A<C36 26> does not have a type.
FATAL: Atom .R<UNK 545>.A<C34 27> does not have a type.
FATAL: Atom .R<UNK 545>.A<N36 28> does not have a type.
FATAL: Atom .R<UNK 545>.A<C37 29> does not have a type.
FATAL: Atom .R<UNK 545>.A<H3 30> does not have a type.
FATAL: Atom .R<UNK 545>.A<C 31> does not have a type.
FATAL: Atom .R<UNK 545>.A<N2 32> does not have a type.
FATAL: Atom .R<UNK 545>.A<C3 33> does not have a type.
FATAL: Atom .R<UNK 545>.A<C5 34> does not have a type.
FATAL: Atom .R<UNK 545>.A<C7 35> does not have a type.
FATAL: Atom .R<UNK 545>.A<C6 36> does not have a type.
FATAL: Atom .R<UNK 545>.A<C8 37> does not have a type.
FATAL: Atom .R<UNK 545>.A<C4 38> does not have a type.
FATAL: Atom .R<UNK 545>.A<C9 39> does not have a type.
FATAL: Atom .R<UNK 545>.A<C10 40> does not have a type.
FATAL: Atom .R<UNK 545>.A<C11 41> does not have a type.
FATAL: Atom .R<UNK 545>.A<C12 42> does not have a type.
FATAL: Atom .R<UNK 545>.A<C15 43> does not have a type.
FATAL: Atom .R<UNK 545>.A<C14 44> does not have a type.
FATAL: Atom .R<UNK 545>.A<C13 45> does not have a type.
FATAL: Atom .R<UNK 545>.A<N14 46> does not have a type.
FATAL: Atom .R<UNK 545>.A<C1 47> does not have a type.
FATAL: Atom .R<UNK 545>.A<C16 48> does not have a type.
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Received on Mon May 01 2017 - 08:00:03 PDT
