VMD-L Mailing List
From: Jose Borreguero (borreguero_at_gmail.com)
Date: Sat Oct 20 2012 - 15:57:16 CDT
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Dear VMD users,
I generated a simple water box AmberTools 1.5. When VMD1.9 loads the prmtop
and mdcrd, it shows a system with very very wrong bond connectivities. In
addition, NAMD2.8 fails when reading the topology file but the error
message is not informative.
Any help would be immensely appreciated. If you want to try these files for
yourself in your VMD, here is the link for the prmtop and mdcrd files (72Kb)
http://www.adrive.com/public/XVwBec/files.tar.gz
Best regards,
Jose M. Borreguero
- Next message: Eric Lovejoy: "calculate end-to-end distance with trajectory files"
- Previous message: Bjørnar Jensen: "Re: Selecting waters between two given distances from a particular point"
- Next in thread: Thomas Evangelidis: "Re: VMD (and NAMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags)"
- Reply: Thomas Evangelidis: "Re: VMD (and NAMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags)"
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