Dear Amber users,
I have run acpype for the generation of topology and coordinate parameters
for the nanotubes. For the smaller tubes (with less number of atoms) this
script is running fine but on increasing the size of the tube (with more
number of atoms) script is showing an error. Error is
========================================================================================
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2020-11-11T22:59:34CET (c)
2021 AWSdS |
========================================================================================
==> Reading user's charges from mol2 file...
==> ... charge set to 0
==> Executing Antechamber...
==> * Antechamber OK *
==> Timed out! Process 7758 killed, max exec time (10800s) exceeded
ACPYPE FAILED: [Errno 3] No such process
Total time of execution: 5h 12m 39s
How can I run this. Any suggestion would be helpful. Thanks in advance.
Regards
Shilpa
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Received on Mon Feb 22 2021 - 07:30:02 PST
