From: Vidhya Sankar (vidhyasankar7928_at_yahoo.com)
Date: Sat Feb 18 2017 - 23:34:54 CST
Dear Namd users I ma doing memebrane/ protein simulation by following membrane tutorial in namd . When i run the equliration with constraint on protein i need to use keep_water_out.tcl script. to avoid the diffusion of water inside the (hydrophobic part of membrane) membrane .
But When i use the scriptIt shows the error as follows
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: expected integer but got "OH2"
while executing
"atomid $segname $resid $atom"
("foreach" body line 3)
invoked from within
"foreach atomrecord $waters_list {
foreach {segname resid atom} $atomrecord { break }
set atomindex [atomid $segname $resid $atom]
set fla..."
(file "./keepwaterout.tcl" line 122)
Charm++ fatal error:
FATAL ERROR: expected integer but got "OH2"
while executing
"atomid $segname $resid $atom"
("foreach" body line 3)
invoked from within
"foreach atomrecord $waters_list {
foreach {segname resid atom} $atomrecord { break }
set atomindex [atomid $segname $resid $atom]
set fla..."
(file "./keepwaterout.tcl" line 122)
Could any one please help me to solve the problem ?
with high regardsS.vidhya sankar
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