[AMBER] CPPTRAJ parameter file error

From: Rui Chen <rchen6.ualberta.ca>
Date: Tue, 1 Oct 2019 16:36:19 -0600


I uploaded a parameter file into CPPTRAJ. I got the following errors. I
double checked the atom numbering is sequential. It seems like the problem
is the bond information is wrong, even though I specified the bond
information in Tleap to generate this parameter file and double checked the
interactions are correct.

Just to let you know, this is a homodimer and the following mentioned atom
6615 is the first atom of the glycans. I think the problem is the
glycan/protein interactions. I tried the four ways mentioned in the first
snapshot, none of them worked.

Could you please give me some clues? Looking forward to your reply.

[image: Screen Shot 2019-10-01 at 3.45.59 PM.png]

[image: Screen Shot 2019-10-01 at 3.47.01 PM.png]

Best regards,

AMBER mailing list

(image/png attachment: Screen_Shot_2019-10-01_at_3.47.01_PM.png)

(image/png attachment: Screen_Shot_2019-10-01_at_3.45.59_PM.png)

Received on Tue Oct 01 2019 - 16:00:02 PDT
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