<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">in the indexing of your atoms (probably you have inconsistent indexes for QM and MM atoms).<div><br><div><div>On 14 Aug 2014, at 06:23, <a href="mailto:sant...@iiserb.ac.in">sant...@iiserb.ac.in</a> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr">Hi,<br> when i run qmmm MD , i come up with the error <br><br><br> ************************************************************************<br> *** 09:44:18 ERRORL2 in qmmm_init:setup_qmmm_vars_qm processor 0 :: ***<br> *** err=-300 condition FAILED at line 655 ***<br> ************************************************************************<br><br><br> ===== Routine Calling Stack =====<br><br> 2 qmmm_create_force_env_low<br> 1 CP2K<br><br><br><br>Can anybody tell me where I have to pay attention ?<br><br>Thank you<br></div><div><br class="webkit-block-placeholder"></div>
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