From: Almeida-Hernández, Yasser, Dr. (yasser.almeida-hernandez_at_uni-due.de)
Date: Mon Oct 05 2020 - 03:08:48 CDT
Dear all,
I am trying to equilibrate a solvated DNA system with Drude FF, prepared with CHARMM-GUI, using NAMD 2.14b2 (Linux). I get this error when I run:
$ namd2 +p4 step4_equilibration.inp
(...)
TCL: wrong # args: should be "set varName ?newValue?"
FATAL ERROR: wrong # args: should be "set varName ?newValue?"
while executing
"set prot segid dnaa .or. segid dnab"
(file "../step2_drude.str" line 14)
invoked from within
"source ../step2_drude.str"
(file "step4_equilibration.inp" line 78)
FATAL ERROR: wrong # args: should be "set varName ?newValue?"
while executing
"set prot segid dnaa .or. segid dnab"
(file "../step2_drude.str" line 14)
invoked from within
"source ../step2_drude.str"
(file "step4_equilibration.inp" line 78)
[Partition 0][Node 0] End of program
Attached is my input file and the step2_drude.str file. What am I missing? I am relatively new to NAMD.
Thanks in advance.
-- Dr. Yasser Almeida-Hernandez Postdoctoral Researcher Computational Biochemistry group T01 R03 D45 Faculty of Biology University of Duisburg-Essen Universitätsstr. 2, 45117 Essen Email: yasser.almeida-hernandez_at_uni-due.de<mailto:%20yasser.almeida-hernandez_at_uni-due.de> Phone: +49 201 183 2457<tel:+49%20201%20183%202457>
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