Hi all,
trappedlipids.tcl mbtools example script doesn't seem to trap lipids: first three lipids of the system, which are supposed to be trapped, are just swimming all around te membrane. I have compiled ESPResSo with MOLFORCES. I tried to increase the value of trapspring -- but it doesn't help. I also turn on debug messages and see that ESPResSo tries to trap them:
::mbtools::utils > Debug: applying trap : { 13.5 1.5 8.0 } 0 1000000000 0 { 1 1 1 } {0 0 0} to mol : 0
::mbtools::utils > Debug: applying trap : { 3.5 11.5 8.0 } 0 1000000000 0 { 1 1 1 } {0 0 0} to mol : 1
::mbtools::utils > Debug: applying trap : { 7.5 7.5 8.0 } 0 1000000000 0 { 1 1 1 } {0 0 0} to mol : 2
But still it doesn't seem to be working. What could that be?
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Best,
Boris.