mailRe: relax-users Digest, Vol 116, Issue 38


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Posted by Mahdi, Sam on October 01, 2016 - 20:14:
Hi Edward,

Oh ok. Thank you for your help, I was able to resolve the problems I had
with both proteins, and now they are both running. Since there is symmetry
within the dimer, both chain A and chain B will give me the same S^2
results correct?

Sincerely,
Sam

On Sat, Oct 1, 2016 at 2:21 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:

On 30 September 2016 at 23:42, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx>
wrote:
Hi Edward,

So when I ran it as read_mol=0, it gave me the same error. But it worked
once I changed it to read_mol=1. I thought mol=0 was for set A and mol=1
was
for set B?

Sorry, I just remembered that the molecule numbering starts from 1.
So read_mol=1 gives chain ID A and read_mol=2 gives chain ID B.  I
should add a check for this argument.

Regards,

Edward



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