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charmm.built WARNING - Failed/poorly guessed coordinates can cause simulations to crash since failed atoms are all positioned on (0,0,0). about htmd HOT 2 CLOSED

giadefa avatar giadefa commented on August 17, 2024
charmm.built WARNING - Failed/poorly guessed coordinates can cause simulations to crash since failed atoms are all positioned on (0,0,0).

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Comments (2)

j3mdamas avatar j3mdamas commented on August 17, 2024

This warning still puzzles me. I've had it, and simulations did not crash.

On Wed, Jun 8, 2016 at 12:25 PM, giadefa [email protected] wrote:

This is kind of wrong, because it is saying that even when there are no
[0,0,0] coordinates.
On the other hands it should be make it very clear that it is likely wrong
to have it. Like SEVERE WARNING


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stefdoerr avatar stefdoerr commented on August 17, 2024

Removed useless warning.
Added severe warning when atoms are actually at 0,0,0

On Wed, Jun 8, 2016 at 12:28 PM, João M. Damas [email protected]
wrote:

This warning still puzzles me. I've had it, and simulations did not crash.

On Wed, Jun 8, 2016 at 12:25 PM, giadefa [email protected] wrote:

This is kind of wrong, because it is saying that even when there are no
[0,0,0] coordinates.
On the other hands it should be make it very clear that it is likely
wrong
to have it. Like SEVERE WARNING


You are receiving this because you are subscribed to this thread.
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#52, or mute the thread
<
https://github.com/notifications/unsubscribe/AKTzQnmagOdvlLweOHtxCiMOprpfwCzpks5qJpiigaJpZM4Iw0EB

.


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