[gmx-users] new CHARMM-GUI output not supported?

Albert mailmd2011 at gmail.com
Wed Apr 17 07:28:48 CEST 2013

Hello Mark and Justin:

  thanks a lot for kind comments.

  I changed the atom order in forcecfiled .rtp file so that they are the 
same with the output from CHARMM-GUI, and it works fine now.


On 04/17/2013 12:50 AM, Mark Abraham wrote:
> "Support" is not really the right word:-). That force field port and that
> builder are things provided by (different?) third parties in the hope that
> they are useful. You can't really expect stuff written by three groups of
> people at different times to inter-operate seamlessly.
> IIRC nbfix has been around for a while,  but I've no idea what it is...
> Mark

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