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<div class="gmail-moz-text-flowed" style="font-family:-moz-fixed;font-size:12px" lang="x-unicode">Dear CP2K Team & Users,
<br>
<br>I am trying to run a force matching using amber topology files (prmtop).
<br>I already ran BO-MD to get reference energies and forces.
<br>
<br>I replaced the properties to fit in the prmtop file to match with the 
corresponding variable e.g. ${PRM01} and ${PRM02}.
<br>
<br>For the file structure I used the one from tests/optimize_input
<br>
<br>now the FITIT-worker-0.out tells me, cp2k does not understand the 
variables in the topology file.
<br>
<br>
<br> *******************************************************************************
<br> * ___ *
<br> *  / \ *
<br> * [ABORT] *
<br> *  \___/                 Variable ${PRM01} not defined in 
file:               *
<br> *    |             ./d_mediated_basepair_matching.prmtop Line:    
32         *
<br> * O/| *
<br> * /| | *
<br> * / \ input/cp_parser_inpp_methods.F:466 *
<br> *******************************************************************************
<br>
<br>
<br> ===== Routine Calling Stack =====
<br>
<br>            9 parser_read_line_low
<br>            8 parser_read_line
<br>            7 rdparm_amber_8
<br>            6 read_connectivity_amber
<br>            5 connectivity_control
<br>            4 topology_control
<br>            3 fist_init
<br>            2 fist_create_force_env
<br>            1 CP2K
<br>
<br>So I am assuming cp2k can not do a force matching with amber topologies? 
Do I really need to put my amber FF by hand into cp2k?
<br>
<br>Greetings
<br>
<br></div>

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