Date: Mon, 6 Jan 2020 20:22:52 +0000
[cid:image001.png.01D5C4A4.520900A0]
Please find my input files.
Any help or suggestions will be welcome deeply.
Thanks
This error pops up right after the minimization step. ( I am using pmemd.cuda)
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(image/png attachment: 9742A64C89B046E4A8A197AD02277B67.png)
- application/octet-stream attachment: equil_NVT.in
- application/octet-stream attachment: equil1A.in
- application/octet-stream attachment: heat1.in
- application/octet-stream attachment: heat2.in
- application/octet-stream attachment: heat3.in
- application/octet-stream attachment: heat4.in
- application/octet-stream attachment: min.in
