Check your atoms names carefully, seems like there is one name given to two atoms.
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Thakur, Abhishek [mailto:axt651.miami.edu]
Sent: Thursday, February 02, 2017 3:56 AM
To: amber.ambermd.org
Subject: [AMBER] cannot add bond
Hi
I have been trying to create parameter file for my heteroatom.
I have calculated RESP charges and after that while creating prmtop and inpcrd files I am getting error.
!FATAL ERROR----------------------------------------
!FATAL: In file [unitio.c], line 1810
!FATAL: Message: 1-4: cannot add bond 8 9
This may be caused by duplicate bond specifications; for example, explicit bond commands in addition to PDB conect records.
!
!ABORTING.
Everything in structure looks good and connected as expected in mol2 file.
Can anyone suggest me what should I do for this.
With regards,
AT
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Received on Wed Feb 01 2017 - 20:00:02 PST
