[AMBER] cannot add bond

From: Thakur, Abhishek <axt651.miami.edu>
Date: Wed, 1 Feb 2017 22:26:09 +0000


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.

Everything in structure looks good and connected as expected in mol2 file.

Can anyone suggest me what should I do for this.

With regards,

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Received on Wed Feb 01 2017 - 14:30:02 PST
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